REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3bg7_1_G DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSGPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.225 176.300 -0.125 0.000 1.140 43 M CA 0.000 55.168 55.300 -0.220 0.000 0.988 43 M CB 0.000 32.276 32.600 -0.541 0.000 1.302 44 D N 1.098 121.447 120.400 -0.085 0.000 2.645 44 D HA 0.604 5.244 4.640 0.000 0.000 0.228 44 D C 0.816 177.045 176.300 -0.118 0.000 1.148 44 D CA -0.360 53.581 54.000 -0.098 0.000 0.860 44 D CB 1.179 41.898 40.800 -0.135 0.000 1.548 44 D HN 0.630 nan 8.370 nan 0.000 0.460 45 I N -0.054 120.433 120.570 -0.139 0.000 2.052 45 I HA -0.042 4.128 4.170 0.000 0.000 0.235 45 I C 0.754 176.792 176.117 -0.132 0.000 1.046 45 I CA 1.073 62.313 61.300 -0.101 0.000 1.308 45 I CB -0.372 37.582 38.000 -0.076 0.000 1.031 45 I HN 0.127 nan 8.210 nan 0.000 0.395 46 K N -0.246 119.967 120.400 -0.310 0.000 2.376 46 K HA 0.497 4.817 4.320 0.000 0.000 0.257 46 K C -1.728 174.510 176.600 -0.603 0.000 0.939 46 K CA -0.605 55.506 56.287 -0.293 0.000 0.809 46 K CB 1.050 33.454 32.500 -0.159 0.000 1.121 46 K HN 0.249 nan 8.250 nan 0.000 0.425 47 Y N 1.253 121.543 120.300 -0.017 0.000 2.587 47 Y HA 0.271 4.821 4.550 0.000 0.000 0.337 47 Y C 0.833 176.705 175.900 -0.047 0.000 1.065 47 Y CA -0.662 57.419 58.100 -0.031 0.000 1.126 47 Y CB 1.710 40.154 38.460 -0.027 0.000 1.279 47 Y HN 0.630 nan 8.280 nan 0.000 0.489 48 D N 0.157 120.641 120.400 0.139 0.000 2.120 48 D HA 0.026 4.666 4.640 0.000 0.000 0.202 48 D C -0.311 175.986 176.300 -0.004 0.000 0.972 48 D CA 1.371 55.432 54.000 0.101 0.000 0.837 48 D CB 0.267 41.194 40.800 0.211 0.000 0.989 48 D HN 0.124 nan 8.370 nan 0.000 0.469 49 V N 1.248 121.157 119.914 -0.008 0.000 2.638 49 V HA 0.376 4.496 4.120 0.000 0.000 0.306 49 V C -0.264 175.750 176.094 -0.133 0.000 1.052 49 V CA -1.036 61.171 62.300 -0.155 0.000 0.885 49 V CB 2.442 34.146 31.823 -0.197 0.000 0.999 49 V HN -0.022 nan 8.190 nan 0.000 0.424 50 V N 2.899 122.694 119.914 -0.198 0.000 2.555 50 V HA 0.744 4.864 4.120 0.000 0.000 0.302 50 V C -0.609 175.441 176.094 -0.072 0.000 1.038 50 V CA -0.617 61.630 62.300 -0.088 0.000 0.887 50 V CB 1.687 33.539 31.823 0.049 0.000 0.991 50 V HN 0.686 nan 8.190 nan 0.000 0.434 51 I N 4.107 124.656 120.570 -0.036 0.000 2.436 51 I HA 0.482 4.652 4.170 0.000 0.000 0.289 51 I C -0.597 175.547 176.117 0.045 0.000 1.010 51 I CA -0.956 60.306 61.300 -0.063 0.000 1.098 51 I CB 2.249 40.195 38.000 -0.090 0.000 1.266 51 I HN 0.419 nan 8.210 nan 0.000 0.434 52 V N 5.444 125.368 119.914 0.017 0.000 2.318 52 V HA 0.774 4.894 4.120 0.000 0.000 0.271 52 V C 0.454 176.556 176.094 0.013 0.000 1.030 52 V CA -0.250 62.081 62.300 0.052 0.000 0.844 52 V CB 0.471 32.300 31.823 0.010 0.000 1.015 52 V HN 1.068 nan 8.190 nan 0.000 0.460 53 G N 3.808 112.630 108.800 0.038 0.000 3.055 53 G HA2 0.002 3.962 3.960 0.000 0.000 0.685 53 G HA3 0.002 3.962 3.960 0.000 0.000 0.685 53 G C -0.090 174.824 174.900 0.025 0.000 1.212 53 G CA -0.259 44.853 45.100 0.021 0.000 0.822 53 G HN 1.203 nan 8.290 nan 0.000 0.610 54 S N 1.119 116.837 115.700 0.030 0.000 2.588 54 S HA 0.613 5.083 4.470 0.000 0.000 0.245 54 S C 1.272 175.884 174.600 0.020 0.000 1.021 54 S CA 0.685 58.909 58.200 0.040 0.000 1.006 54 S CB 0.604 63.841 63.200 0.062 0.000 0.830 54 S HN 1.876 nan 8.310 nan 0.000 0.468 55 G N 2.595 111.395 108.800 0.001 0.000 2.570 55 G HA2 0.408 4.368 3.960 0.000 0.000 0.276 55 G HA3 0.408 4.368 3.960 0.000 0.000 0.276 55 G C -1.239 173.640 174.900 -0.036 0.000 1.346 55 G CA -1.322 43.760 45.100 -0.030 0.000 1.034 55 G HN 0.255 nan 8.290 nan 0.000 0.512 56 P HA -0.055 nan 4.420 nan 0.000 0.220 56 P C 1.725 178.963 177.300 -0.103 0.000 1.148 56 P CA 0.794 63.844 63.100 -0.083 0.000 0.803 56 P CB 0.186 31.859 31.700 -0.044 0.000 0.782 57 I N -0.048 120.497 120.570 -0.043 0.000 2.277 57 I HA -0.019 4.151 4.170 0.000 0.000 0.243 57 I C 2.692 178.862 176.117 0.088 0.000 1.094 57 I CA 1.547 62.854 61.300 0.011 0.000 1.393 57 I CB -2.269 35.764 38.000 0.055 0.000 1.078 57 I HN -0.005 nan 8.210 nan 0.000 0.417 58 G N 0.530 109.361 108.800 0.051 0.000 2.469 58 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 58 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 58 G C 1.736 176.630 174.900 -0.011 0.000 1.150 58 G CA 1.113 46.235 45.100 0.036 0.000 0.763 58 G HN 0.415 nan 8.290 nan 0.000 0.561 59 C N 0.549 119.818 119.300 -0.052 0.000 2.448 59 C HA 0.066 4.527 4.460 0.000 0.000 0.280 59 C C 3.146 177.999 174.990 -0.229 0.000 1.398 59 C CA 1.273 60.216 59.018 -0.125 0.000 1.774 59 C CB -0.949 26.772 27.740 -0.032 0.000 1.888 59 C HN 0.450 nan 8.230 nan 0.000 0.519 60 T N 0.036 114.481 114.554 -0.182 0.000 2.770 60 T HA -0.126 4.224 4.350 0.000 0.000 0.263 60 T C 1.465 175.990 174.700 -0.292 0.000 1.039 60 T CA 1.479 63.430 62.100 -0.247 0.000 1.142 60 T CB -0.406 68.338 68.868 -0.208 0.000 0.868 60 T HN 0.527 nan 8.240 nan 0.000 0.435 61 Y N 1.751 121.904 120.300 -0.245 0.000 2.081 61 Y HA -0.164 4.386 4.550 0.000 0.000 0.280 61 Y C 2.817 178.493 175.900 -0.374 0.000 1.163 61 Y CA 1.182 59.116 58.100 -0.276 0.000 1.135 61 Y CB -0.843 37.476 38.460 -0.235 0.000 0.970 61 Y HN 0.198 nan 8.280 nan 0.000 0.498 62 A N 0.080 122.708 122.820 -0.321 0.000 1.908 62 A HA -0.263 4.057 4.320 0.000 0.000 0.218 62 A C 2.315 179.334 177.584 -0.942 0.000 1.181 62 A CA 2.012 53.612 52.037 -0.728 0.000 0.627 62 A CB -0.794 17.510 19.000 -1.159 0.000 0.818 62 A HN 0.457 nan 8.150 nan 0.000 0.445 63 R N -0.399 119.608 120.500 -0.822 0.000 2.070 63 R HA -0.152 4.188 4.340 0.000 0.000 0.233 63 R C 2.053 178.140 176.300 -0.355 0.000 1.137 63 R CA 1.691 57.446 56.100 -0.575 0.000 0.945 63 R CB -0.334 29.664 30.300 -0.502 0.000 0.845 63 R HN 0.574 nan 8.270 nan 0.000 0.430 64 E N 0.508 120.524 120.200 -0.307 0.000 2.085 64 E HA -0.211 4.139 4.350 0.000 0.000 0.194 64 E C 2.123 178.650 176.600 -0.121 0.000 0.994 64 E CA 1.351 57.645 56.400 -0.177 0.000 0.801 64 E CB -0.081 29.508 29.700 -0.184 0.000 0.743 64 E HN 0.445 nan 8.360 nan 0.000 0.453 65 L N 0.067 121.190 121.223 -0.167 0.000 2.168 65 L HA -0.052 4.288 4.340 0.000 0.000 0.203 65 L C 2.557 179.468 176.870 0.068 0.000 1.078 65 L CA 0.235 55.029 54.840 -0.077 0.000 0.780 65 L CB -0.295 41.617 42.059 -0.245 0.000 0.939 65 L HN -0.058 nan 8.230 nan 0.000 0.451 66 V N 0.697 120.562 119.914 -0.082 0.000 2.287 66 V HA -0.244 3.876 4.120 0.000 0.000 0.248 66 V C 2.661 178.772 176.094 0.028 0.000 1.053 66 V CA 2.191 64.478 62.300 -0.022 0.000 1.027 66 V CB -1.356 30.383 31.823 -0.140 0.000 0.646 66 V HN 0.578 nan 8.190 nan 0.000 0.447 67 G N -0.486 108.307 108.800 -0.011 0.000 2.450 67 G HA2 -0.196 3.764 3.960 0.000 0.000 0.220 67 G HA3 -0.196 3.764 3.960 0.000 0.000 0.220 67 G C 1.507 176.433 174.900 0.044 0.000 1.130 67 G CA 0.927 46.037 45.100 0.018 0.000 0.760 67 G HN 0.664 nan 8.290 nan 0.000 0.557 68 A N -0.552 122.320 122.820 0.087 0.000 2.238 68 A HA 0.478 4.798 4.320 0.000 0.000 0.208 68 A C 1.940 179.538 177.584 0.024 0.000 1.177 68 A CA 1.259 53.359 52.037 0.105 0.000 0.804 68 A CB -0.363 18.782 19.000 0.242 0.000 0.823 68 A HN 1.596 nan 8.150 nan 0.000 0.482 69 G N -2.421 106.403 108.800 0.039 0.000 2.159 69 G HA2 -0.248 3.712 3.960 0.000 0.000 0.227 69 G HA3 -0.248 3.712 3.960 0.000 0.000 0.227 69 G C -0.059 174.766 174.900 -0.124 0.000 0.986 69 G CA -0.002 45.069 45.100 -0.048 0.000 0.651 69 G HN 0.385 nan 8.290 nan 0.000 0.523 70 Y N 0.718 121.008 120.300 -0.017 0.000 2.411 70 Y HA 0.396 4.946 4.550 0.000 0.000 0.333 70 Y C 1.137 177.020 175.900 -0.029 0.000 1.186 70 Y CA 0.230 58.317 58.100 -0.021 0.000 1.381 70 Y CB 0.725 39.167 38.460 -0.031 0.000 1.273 70 Y HN 0.104 nan 8.280 nan 0.000 0.546 71 K N 3.060 123.523 120.400 0.104 0.000 2.338 71 K HA 0.374 4.694 4.320 0.000 0.000 0.290 71 K C -1.507 175.198 176.600 0.174 0.000 1.069 71 K CA -0.146 56.190 56.287 0.081 0.000 0.941 71 K CB 0.057 32.574 32.500 0.027 0.000 1.023 71 K HN 0.493 nan 8.250 nan 0.000 0.477 72 V N 3.484 123.484 119.914 0.145 0.000 2.495 72 V HA 0.570 4.690 4.120 0.000 0.000 0.298 72 V C -0.299 175.706 176.094 -0.148 0.000 1.031 72 V CA -0.905 61.438 62.300 0.071 0.000 0.871 72 V CB 1.403 33.312 31.823 0.144 0.000 0.988 72 V HN 0.896 nan 8.190 nan 0.000 0.432 73 A N 5.758 128.327 122.820 -0.418 0.000 2.337 73 A HA 0.946 5.266 4.320 0.000 0.000 0.329 73 A C -0.654 176.601 177.584 -0.547 0.000 1.146 73 A CA -0.639 50.920 52.037 -0.797 0.000 0.800 73 A CB 1.596 19.748 19.000 -1.413 0.000 1.220 73 A HN 0.889 nan 8.150 nan 0.000 0.472 74 M N 2.248 121.442 119.600 -0.676 0.000 2.326 74 M HA 0.702 5.182 4.480 0.000 0.000 0.306 74 M C -2.158 173.841 176.300 -0.502 0.000 1.054 74 M CA -0.399 54.687 55.300 -0.356 0.000 0.922 74 M CB 1.150 33.728 32.600 -0.038 0.000 1.632 74 M HN 0.614 nan 8.290 nan 0.000 0.436 75 F N 2.357 122.306 119.950 -0.001 0.000 2.469 75 F HA 0.572 5.099 4.527 0.000 0.000 0.332 75 F C -0.102 175.702 175.800 0.007 0.000 1.103 75 F CA -0.497 57.522 58.000 0.033 0.000 0.979 75 F CB 1.440 40.442 39.000 0.004 0.000 1.137 75 F HN 0.440 nan 8.300 nan 0.000 0.463 76 D N 2.765 123.260 120.400 0.158 0.000 2.934 76 D HA 0.228 4.868 4.640 0.000 0.000 0.230 76 D C 0.450 176.781 176.300 0.052 0.000 1.204 76 D CA -0.342 53.703 54.000 0.075 0.000 0.873 76 D CB 2.469 43.296 40.800 0.044 0.000 1.645 76 D HN 0.632 nan 8.370 nan 0.000 0.502 77 I N 1.927 122.483 120.570 -0.024 0.000 2.493 77 I HA 0.025 4.195 4.170 0.000 0.000 0.254 77 I C 1.197 177.283 176.117 -0.052 0.000 1.160 77 I CA 0.808 62.053 61.300 -0.092 0.000 1.445 77 I CB 0.169 38.002 38.000 -0.278 0.000 1.086 77 I HN 0.347 nan 8.210 nan 0.000 0.433 78 G N -0.069 108.716 108.800 -0.025 0.000 2.537 78 G HA2 0.364 4.324 3.960 0.000 0.000 0.297 78 G HA3 0.364 4.324 3.960 0.000 0.000 0.297 78 G C -0.830 174.091 174.900 0.034 0.000 1.310 78 G CA -0.422 44.686 45.100 0.014 0.000 1.027 78 G HN 0.287 nan 8.290 nan 0.000 0.505 79 E N -1.342 118.884 120.200 0.042 0.000 2.249 79 E HA 0.378 4.728 4.350 0.000 0.000 0.263 79 E C -0.474 176.151 176.600 0.042 0.000 0.950 79 E CA -0.688 55.738 56.400 0.043 0.000 0.827 79 E CB 2.486 32.214 29.700 0.046 0.000 1.220 79 E HN 0.264 nan 8.360 nan 0.000 0.411 80 I N 2.615 123.208 120.570 0.038 0.000 2.436 80 I HA 0.038 4.208 4.170 0.000 0.000 0.289 80 I C -0.075 176.070 176.117 0.047 0.000 1.083 80 I CA 0.411 61.734 61.300 0.040 0.000 1.372 80 I CB 0.141 38.158 38.000 0.029 0.000 1.408 80 I HN 0.546 nan 8.210 nan 0.000 0.516 81 D N 2.829 123.263 120.400 0.057 0.000 2.740 81 D HA 0.015 4.655 4.640 0.000 0.000 0.305 81 D C 0.310 176.658 176.300 0.080 0.000 1.583 81 D CA -0.149 53.888 54.000 0.062 0.000 0.790 81 D CB 0.361 41.197 40.800 0.060 0.000 1.187 81 D HN 0.309 nan 8.370 nan 0.000 0.447 82 S N -0.333 115.418 115.700 0.087 0.000 3.101 82 S HA 0.545 5.015 4.470 0.000 0.000 0.252 82 S C 0.521 175.192 174.600 0.117 0.000 0.920 82 S CA 0.361 58.630 58.200 0.115 0.000 1.158 82 S CB -0.324 62.941 63.200 0.107 0.000 1.125 82 S HN 0.887 nan 8.310 nan 0.000 0.608 83 G N 1.063 109.921 108.800 0.096 0.000 2.757 83 G HA2 -0.166 3.794 3.960 0.000 0.000 0.638 83 G HA3 -0.166 3.794 3.960 0.000 0.000 0.638 83 G C 0.203 175.141 174.900 0.064 0.000 1.344 83 G CA -0.311 44.841 45.100 0.086 0.000 0.855 83 G HN 0.387 nan 8.290 nan 0.000 0.537 84 L N -0.118 121.137 121.223 0.053 0.000 2.376 84 L HA 0.090 4.430 4.340 0.000 0.000 0.219 84 L C 1.577 178.463 176.870 0.027 0.000 1.133 84 L CA 0.897 55.757 54.840 0.033 0.000 0.816 84 L CB -0.296 41.777 42.059 0.024 0.000 0.933 84 L HN 0.356 nan 8.230 nan 0.000 0.449 85 K N 1.744 122.170 120.400 0.043 0.000 2.250 85 K HA 0.304 4.624 4.320 0.000 0.000 0.285 85 K C -0.249 176.377 176.600 0.044 0.000 1.097 85 K CA -0.232 56.077 56.287 0.037 0.000 0.913 85 K CB 0.706 33.243 32.500 0.062 0.000 1.179 85 K HN 0.092 nan 8.250 nan 0.000 0.462 86 I N 1.716 122.296 120.570 0.017 0.000 2.618 86 I HA -0.060 4.110 4.170 0.000 0.000 0.284 86 I C 1.378 177.518 176.117 0.039 0.000 1.146 86 I CA 0.706 62.022 61.300 0.025 0.000 1.425 86 I CB 0.383 38.388 38.000 0.009 0.000 1.383 86 I HN 0.923 nan 8.210 nan 0.000 0.562 87 G N 4.221 113.055 108.800 0.058 0.000 2.160 87 G HA2 -0.197 3.763 3.960 0.000 0.000 0.251 87 G HA3 -0.197 3.763 3.960 0.000 0.000 0.251 87 G C 0.307 175.264 174.900 0.095 0.000 1.008 87 G CA 0.116 45.255 45.100 0.064 0.000 0.724 87 G HN 0.993 nan 8.290 nan 0.000 0.514 88 A N -0.548 122.345 122.820 0.121 0.000 2.259 88 A HA 0.639 4.959 4.320 0.000 0.000 0.278 88 A C 0.549 178.273 177.584 0.233 0.000 1.107 88 A CA -0.347 51.801 52.037 0.184 0.000 0.828 88 A CB 0.323 19.431 19.000 0.180 0.000 1.111 88 A HN 0.608 nan 8.150 nan 0.000 0.498 89 H N 0.346 119.558 119.070 0.237 0.000 2.767 89 H HA 0.142 4.699 4.556 0.000 0.000 0.316 89 H C 0.632 176.107 175.328 0.246 0.000 1.059 89 H CA 0.556 56.764 56.048 0.267 0.000 1.461 89 H CB 0.887 30.829 29.762 0.300 0.000 1.475 89 H HN 0.657 nan 8.280 nan 0.000 0.531 90 K N 3.395 124.043 120.400 0.412 0.000 2.439 90 K HA -0.059 4.261 4.320 0.000 0.000 0.197 90 K C 1.670 178.571 176.600 0.501 0.000 1.041 90 K CA 0.410 56.975 56.287 0.463 0.000 0.970 90 K CB 0.427 33.195 32.500 0.446 0.000 0.773 90 K HN 0.425 nan 8.250 nan 0.000 0.479 91 K N 0.917 121.497 120.400 0.300 0.000 2.504 91 K HA -0.020 4.300 4.320 0.000 0.000 0.195 91 K C 0.712 177.342 176.600 0.050 0.000 1.036 91 K CA 0.474 56.566 56.287 -0.326 0.000 0.984 91 K CB 0.155 32.116 32.500 -0.899 0.000 0.788 91 K HN 0.072 nan 8.250 nan 0.000 0.488 92 N N 1.100 119.938 118.700 0.229 0.000 2.383 92 N HA -0.051 4.689 4.740 0.000 0.000 0.192 92 N C 0.012 175.740 175.510 0.363 0.000 1.141 92 N CA 0.355 53.546 53.050 0.236 0.000 0.851 92 N CB 0.270 38.945 38.487 0.313 0.000 0.976 92 N HN 0.249 nan 8.380 nan 0.000 0.465 93 T N -2.925 111.833 114.554 0.342 0.000 2.904 93 T HA 0.222 4.572 4.350 0.000 0.000 0.290 93 T C 1.789 176.657 174.700 0.281 0.000 1.018 93 T CA -0.708 61.568 62.100 0.293 0.000 1.075 93 T CB 1.413 70.408 68.868 0.212 0.000 0.986 93 T HN -0.204 nan 8.240 nan 0.000 0.523 94 V N 1.723 121.783 119.914 0.243 0.000 2.282 94 V HA -0.156 3.964 4.120 0.000 0.000 0.249 94 V C 2.958 179.109 176.094 0.095 0.000 1.057 94 V CA 1.945 64.365 62.300 0.201 0.000 1.032 94 V CB -0.893 31.002 31.823 0.119 0.000 0.645 94 V HN 0.899 nan 8.190 nan 0.000 0.447 95 E N -0.461 119.733 120.200 -0.010 0.000 2.114 95 E HA -0.245 4.105 4.350 0.000 0.000 0.199 95 E C 2.106 178.632 176.600 -0.125 0.000 1.008 95 E CA 1.973 58.291 56.400 -0.136 0.000 0.810 95 E CB -0.322 29.188 29.700 -0.317 0.000 0.739 95 E HN 0.776 nan 8.360 nan 0.000 0.456 96 Y N 0.761 121.132 120.300 0.119 0.000 2.420 96 Y HA -0.010 4.541 4.550 0.000 0.000 0.292 96 Y C 2.437 178.361 175.900 0.041 0.000 1.119 96 Y CA 0.543 58.700 58.100 0.095 0.000 1.229 96 Y CB -0.167 38.351 38.460 0.097 0.000 1.026 96 Y HN 0.017 nan 8.280 nan 0.000 0.554 97 Q N 0.529 120.429 119.800 0.166 0.000 2.226 97 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 97 Q C 1.659 177.723 176.000 0.106 0.000 0.975 97 Q CA 1.193 57.051 55.803 0.092 0.000 0.866 97 Q CB -0.125 28.646 28.738 0.055 0.000 0.915 97 Q HN 0.528 nan 8.270 nan 0.000 0.440 98 K N 0.283 120.748 120.400 0.108 0.000 2.211 98 K HA 0.068 4.388 4.320 0.000 0.000 0.201 98 K C 0.501 177.156 176.600 0.092 0.000 1.052 98 K CA 0.412 56.750 56.287 0.085 0.000 0.973 98 K CB 0.403 32.939 32.500 0.060 0.000 0.766 98 K HN 0.161 nan 8.250 nan 0.000 0.466 99 N N 1.416 120.193 118.700 0.128 0.000 2.765 99 N HA 0.103 4.843 4.740 0.000 0.000 0.277 99 N C 0.343 175.993 175.510 0.233 0.000 1.750 99 N CA 0.035 53.176 53.050 0.151 0.000 0.827 99 N CB 1.145 39.710 38.487 0.130 0.000 1.200 99 N HN 0.062 nan 8.380 nan 0.000 0.494 100 I N 0.306 120.990 120.570 0.190 0.000 2.361 100 I HA -0.240 3.930 4.170 0.000 0.000 0.251 100 I C 0.981 177.221 176.117 0.205 0.000 1.133 100 I CA 1.604 63.014 61.300 0.183 0.000 1.413 100 I CB 0.360 38.423 38.000 0.104 0.000 1.073 100 I HN 0.097 nan 8.210 nan 0.000 0.424 101 D N 1.009 121.528 120.400 0.197 0.000 2.264 101 D HA -0.130 4.510 4.640 0.000 0.000 0.208 101 D C 1.923 178.307 176.300 0.140 0.000 0.966 101 D CA 0.669 54.775 54.000 0.177 0.000 0.864 101 D CB -0.066 40.881 40.800 0.246 0.000 0.933 101 D HN 0.281 nan 8.370 nan 0.000 0.499 102 K N -0.141 120.378 120.400 0.198 0.000 2.442 102 K HA -0.069 4.251 4.320 0.000 0.000 0.198 102 K C 1.625 178.307 176.600 0.137 0.000 1.042 102 K CA 0.000 56.407 56.287 0.200 0.000 0.958 102 K CB -0.254 32.430 32.500 0.306 0.000 0.766 102 K HN 0.217 nan 8.250 nan 0.000 0.474 103 F N 1.441 121.344 119.950 -0.078 0.000 2.325 103 F HA -0.159 4.368 4.527 0.000 0.000 0.299 103 F C 1.829 177.498 175.800 -0.218 0.000 1.090 103 F CA 0.537 58.348 58.000 -0.315 0.000 1.392 103 F CB -0.079 38.716 39.000 -0.342 0.000 1.053 103 F HN -0.284 nan 8.300 nan 0.000 0.521 104 V N 0.214 120.027 119.914 -0.168 0.000 2.453 104 V HA -0.378 3.742 4.120 0.000 0.000 0.252 104 V C 1.844 177.741 176.094 -0.329 0.000 1.068 104 V CA 2.364 64.513 62.300 -0.252 0.000 1.070 104 V CB -1.278 30.405 31.823 -0.233 0.000 0.664 104 V HN 0.372 nan 8.190 nan 0.000 0.461 105 N N 0.169 118.702 118.700 -0.278 0.000 2.142 105 N HA -0.119 4.621 4.740 0.000 0.000 0.186 105 N C 1.705 177.034 175.510 -0.302 0.000 1.023 105 N CA 1.340 54.254 53.050 -0.227 0.000 0.852 105 N CB -0.294 38.121 38.487 -0.120 0.000 0.998 105 N HN 0.346 nan 8.380 nan 0.000 0.424 106 V N 1.333 120.957 119.914 -0.483 0.000 2.295 106 V HA -0.208 3.913 4.120 0.000 0.000 0.246 106 V C 2.055 177.825 176.094 -0.540 0.000 1.049 106 V CA 1.420 63.393 62.300 -0.546 0.000 1.024 106 V CB -0.533 30.748 31.823 -0.903 0.000 0.648 106 V HN 0.299 nan 8.190 nan 0.000 0.447 107 I N -0.174 119.977 120.570 -0.699 0.000 2.127 107 I HA -0.358 3.812 4.170 0.000 0.000 0.241 107 I C 2.743 178.604 176.117 -0.427 0.000 1.075 107 I CA 1.873 62.791 61.300 -0.636 0.000 1.334 107 I CB -0.477 37.184 38.000 -0.566 0.000 1.040 107 I HN 0.372 nan 8.210 nan 0.000 0.405 108 Q N 0.387 119.994 119.800 -0.322 0.000 2.124 108 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 108 Q C 2.364 178.265 176.000 -0.165 0.000 0.977 108 Q CA 1.524 57.196 55.803 -0.219 0.000 0.850 108 Q CB -0.497 28.126 28.738 -0.191 0.000 0.901 108 Q HN 0.671 nan 8.270 nan 0.000 0.429 109 G N 1.545 110.244 108.800 -0.168 0.000 2.462 109 G HA2 -0.269 3.691 3.960 0.000 0.000 0.220 109 G HA3 -0.269 3.691 3.960 0.000 0.000 0.220 109 G C 1.068 175.923 174.900 -0.075 0.000 1.121 109 G CA 0.986 46.021 45.100 -0.108 0.000 0.758 109 G HN 0.513 nan 8.290 nan 0.000 0.559 110 Q N -0.788 118.954 119.800 -0.095 0.000 2.157 110 Q HA 0.472 4.812 4.340 0.000 0.000 0.229 110 Q C -0.247 175.749 176.000 -0.006 0.000 0.827 110 Q CA -0.286 55.501 55.803 -0.027 0.000 1.055 110 Q CB 0.223 28.968 28.738 0.012 0.000 1.157 110 Q HN 0.259 nan 8.270 nan 0.000 0.482 111 L N 2.108 123.306 121.223 -0.042 0.000 2.316 111 L HA 0.538 4.878 4.340 0.000 0.000 0.280 111 L C -0.808 176.066 176.870 0.005 0.000 1.006 111 L CA -0.695 54.137 54.840 -0.013 0.000 0.836 111 L CB 1.584 43.603 42.059 -0.066 0.000 1.221 111 L HN 0.254 nan 8.230 nan 0.000 0.418 112 M N 2.210 121.838 119.600 0.047 0.000 2.167 112 M HA 0.331 4.811 4.480 0.000 0.000 0.333 112 M C 0.013 176.349 176.300 0.060 0.000 1.030 112 M CA -0.465 54.868 55.300 0.054 0.000 0.963 112 M CB 1.454 34.110 32.600 0.092 0.000 1.589 112 M HN 0.345 nan 8.290 nan 0.000 0.431 113 S N 1.804 117.527 115.700 0.038 0.000 2.560 113 S HA 0.195 4.665 4.470 0.000 0.000 0.284 113 S C 1.586 176.221 174.600 0.057 0.000 1.327 113 S CA -0.581 57.641 58.200 0.037 0.000 1.055 113 S CB 1.047 64.255 63.200 0.015 0.000 0.868 113 S HN 0.534 nan 8.310 nan 0.000 0.506 114 V N 2.124 122.085 119.914 0.078 0.000 2.346 114 V HA 0.046 4.166 4.120 0.000 0.000 0.244 114 V C 1.125 177.228 176.094 0.015 0.000 1.037 114 V CA 1.277 63.617 62.300 0.068 0.000 1.029 114 V CB 0.176 32.080 31.823 0.135 0.000 0.663 114 V HN 0.792 nan 8.190 nan 0.000 0.454 115 S N -0.358 115.371 115.700 0.049 0.000 2.737 115 S HA 0.512 4.982 4.470 0.000 0.000 0.269 115 S C -1.150 173.458 174.600 0.014 0.000 1.150 115 S CA -0.443 57.752 58.200 -0.008 0.000 1.077 115 S CB 1.389 64.559 63.200 -0.050 0.000 1.075 115 S HN -0.002 nan 8.310 nan 0.000 0.476 116 V N 7.764 127.671 119.914 -0.012 0.000 2.384 116 V HA 0.571 4.691 4.120 0.000 0.000 0.287 116 V C -1.908 174.171 176.094 -0.026 0.000 1.020 116 V CA -1.801 60.489 62.300 -0.016 0.000 0.850 116 V CB 1.498 33.310 31.823 -0.018 0.000 0.987 116 V HN 0.703 nan 8.190 nan 0.000 0.436 117 P HA 0.160 nan 4.420 nan 0.000 0.272 117 P C -0.180 177.096 177.300 -0.040 0.000 1.240 117 P CA -0.127 62.954 63.100 -0.030 0.000 0.791 117 P CB 0.924 32.607 31.700 -0.028 0.000 0.978 118 V N 2.267 122.160 119.914 -0.035 0.000 2.599 118 V HA -0.033 4.087 4.120 0.000 0.000 0.300 118 V C 1.283 177.325 176.094 -0.087 0.000 1.034 118 V CA 0.180 62.455 62.300 -0.042 0.000 1.115 118 V CB -0.628 31.193 31.823 -0.004 0.000 0.934 118 V HN 0.628 nan 8.190 nan 0.000 0.485 119 N N 3.522 122.160 118.700 -0.103 0.000 2.458 119 N HA 0.093 4.833 4.740 0.000 0.000 0.270 119 N C 0.609 175.937 175.510 -0.304 0.000 1.102 119 N CA 0.306 53.264 53.050 -0.152 0.000 0.967 119 N CB 1.597 40.022 38.487 -0.103 0.000 1.078 119 N HN 0.857 nan 8.380 nan 0.000 0.471 120 T N 1.076 115.332 114.554 -0.497 0.000 3.228 120 T HA 0.270 4.621 4.350 0.000 0.000 0.278 120 T C 0.788 175.006 174.700 -0.802 0.000 1.014 120 T CA -0.441 60.966 62.100 -1.156 0.000 0.904 120 T CB -0.420 67.921 68.868 -0.877 0.000 1.110 120 T HN 0.292 nan 8.240 nan 0.000 0.541 121 L N 2.143 123.157 121.223 -0.348 0.000 2.410 121 L HA 0.362 4.702 4.340 0.000 0.000 0.273 121 L C 0.036 176.925 176.870 0.031 0.000 1.152 121 L CA -0.797 53.965 54.840 -0.131 0.000 0.855 121 L CB 1.036 43.053 42.059 -0.070 0.000 1.129 121 L HN 0.085 nan 8.230 nan 0.000 0.463 122 V N 5.135 125.096 119.914 0.077 0.000 2.408 122 V HA 0.106 4.226 4.120 0.000 0.000 0.267 122 V C 0.268 176.419 176.094 0.094 0.000 1.047 122 V CA -0.390 62.008 62.300 0.163 0.000 0.937 122 V CB 1.315 33.219 31.823 0.135 0.000 0.999 122 V HN 0.413 nan 8.190 nan 0.000 0.472 123 V N 5.510 125.483 119.914 0.097 0.000 2.294 123 V HA 0.314 4.434 4.120 0.000 0.000 0.272 123 V C 0.242 176.362 176.094 0.044 0.000 1.027 123 V CA -0.465 61.870 62.300 0.059 0.000 0.823 123 V CB 1.208 33.066 31.823 0.057 0.000 1.030 123 V HN 1.063 nan 8.190 nan 0.000 0.457 124 D N 1.845 122.264 120.400 0.032 0.000 2.501 124 D HA 0.020 4.660 4.640 0.000 0.000 0.226 124 D C 1.121 177.428 176.300 0.011 0.000 1.198 124 D CA 0.097 54.107 54.000 0.017 0.000 0.830 124 D CB 0.326 41.135 40.800 0.014 0.000 1.014 124 D HN 0.537 nan 8.370 nan 0.000 0.496 125 T N -1.939 112.624 114.554 0.015 0.000 3.215 125 T HA 0.308 4.658 4.350 0.000 0.000 0.271 125 T C 0.671 175.380 174.700 0.015 0.000 1.012 125 T CA -0.572 61.535 62.100 0.012 0.000 0.899 125 T CB -0.263 68.613 68.868 0.013 0.000 1.089 125 T HN 0.048 nan 8.240 nan 0.000 0.552 126 L N 2.140 123.373 121.223 0.016 0.000 2.483 126 L HA 0.261 4.601 4.340 0.000 0.000 0.276 126 L C 1.152 178.030 176.870 0.013 0.000 1.213 126 L CA -0.468 54.384 54.840 0.020 0.000 0.843 126 L CB 0.436 42.508 42.059 0.023 0.000 1.107 126 L HN 0.282 nan 8.230 nan 0.000 0.487 127 S N 3.137 118.848 115.700 0.018 0.000 2.558 127 S HA 0.067 4.537 4.470 0.000 0.000 0.291 127 S C -1.240 173.364 174.600 0.008 0.000 1.306 127 S CA -1.054 57.154 58.200 0.014 0.000 1.056 127 S CB 0.658 63.870 63.200 0.020 0.000 0.836 127 S HN 0.458 nan 8.310 nan 0.000 0.504 128 P HA -0.049 nan 4.420 nan 0.000 0.225 128 P C 1.226 178.524 177.300 -0.003 0.000 1.148 128 P CA 1.149 64.244 63.100 -0.009 0.000 0.779 128 P CB -0.517 31.177 31.700 -0.011 0.000 0.780 129 T N -5.144 109.417 114.554 0.012 0.000 3.088 129 T HA 0.100 4.450 4.350 0.000 0.000 0.259 129 T C 1.002 175.731 174.700 0.048 0.000 1.122 129 T CA -0.005 62.110 62.100 0.025 0.000 1.095 129 T CB -0.581 68.304 68.868 0.028 0.000 0.930 129 T HN -0.088 nan 8.240 nan 0.000 0.508 130 S N 1.270 117.000 115.700 0.050 0.000 2.584 130 S HA 0.347 4.817 4.470 0.000 0.000 0.273 130 S C -0.622 174.051 174.600 0.122 0.000 1.311 130 S CA -1.018 57.239 58.200 0.095 0.000 1.034 130 S CB 0.284 63.535 63.200 0.085 0.000 0.939 130 S HN 0.606 nan 8.310 nan 0.000 0.513 131 W N 2.883 124.191 121.300 0.014 0.000 2.251 131 W HA 0.234 4.894 4.660 0.000 0.000 0.327 131 W C 0.167 176.702 176.519 0.027 0.000 1.361 131 W CA 0.259 57.612 57.345 0.014 0.000 1.234 131 W CB 0.233 29.700 29.460 0.012 0.000 1.212 131 W HN 0.498 nan 8.180 nan 0.000 0.557 132 Q N 4.597 123.968 119.800 -0.716 0.000 2.271 132 Q HA 0.564 4.904 4.340 0.000 0.000 0.268 132 Q C -0.820 174.554 176.000 -1.044 0.000 1.021 132 Q CA -0.755 54.699 55.803 -0.580 0.000 0.802 132 Q CB 1.859 30.416 28.738 -0.303 0.000 1.282 132 Q HN 0.608 nan 8.270 nan 0.000 0.431 133 A N 1.718 124.098 122.820 -0.733 0.000 2.271 133 A HA 0.462 4.782 4.320 0.000 0.000 0.288 133 A C 0.397 177.809 177.584 -0.286 0.000 1.094 133 A CA -0.281 51.456 52.037 -0.500 0.000 0.828 133 A CB 1.062 20.138 19.000 0.126 0.000 1.091 133 A HN 0.790 nan 8.150 nan 0.000 0.493 134 S N -0.666 114.904 115.700 -0.216 0.000 2.535 134 S HA 0.159 4.629 4.470 0.000 0.000 0.214 134 S C 0.628 175.119 174.600 -0.182 0.000 0.980 134 S CA 0.685 58.772 58.200 -0.188 0.000 0.907 134 S CB -0.177 62.937 63.200 -0.143 0.000 0.790 134 S HN 1.101 nan 8.310 nan 0.000 0.510 135 T N -1.353 113.125 114.554 -0.127 0.000 2.865 135 T HA 0.646 4.996 4.350 0.000 0.000 0.294 135 T C -0.974 173.649 174.700 -0.128 0.000 1.119 135 T CA -0.736 61.286 62.100 -0.130 0.000 1.007 135 T CB 0.746 69.646 68.868 0.054 0.000 1.225 135 T HN -0.092 nan 8.240 nan 0.000 0.515 136 F N 3.045 123.062 119.950 0.112 0.000 2.567 136 F HA 0.414 4.941 4.527 0.000 0.000 0.352 136 F C 0.313 176.141 175.800 0.046 0.000 1.229 136 F CA -1.838 56.178 58.000 0.027 0.000 1.228 136 F CB -0.825 38.170 39.000 -0.010 0.000 1.568 136 F HN 0.557 nan 8.300 nan 0.000 0.634 137 F N -0.595 119.451 119.950 0.159 0.000 2.375 137 F HA 0.625 5.152 4.527 0.000 0.000 0.313 137 F C -0.049 175.820 175.800 0.116 0.000 1.176 137 F CA -1.755 56.317 58.000 0.119 0.000 1.142 137 F CB -0.159 38.904 39.000 0.104 0.000 1.275 137 F HN -0.147 nan 8.300 nan 0.000 0.544 138 V N 2.865 122.907 119.914 0.215 0.000 2.425 138 V HA 0.233 4.353 4.120 0.000 0.000 0.276 138 V C 0.171 176.317 176.094 0.086 0.000 1.017 138 V CA 0.167 62.527 62.300 0.100 0.000 1.062 138 V CB -0.825 31.069 31.823 0.119 0.000 0.997 138 V HN 0.745 nan 8.190 nan 0.000 0.476 139 R N 3.694 124.152 120.500 -0.069 0.000 2.740 139 R HA 0.441 4.781 4.340 0.000 0.000 0.273 139 R C 0.139 176.410 176.300 -0.048 0.000 0.998 139 R CA -0.974 55.065 56.100 -0.102 0.000 0.900 139 R CB 1.395 31.500 30.300 -0.325 0.000 1.223 139 R HN 0.673 nan 8.270 nan 0.000 0.466 140 N N 0.537 119.227 118.700 -0.016 0.000 2.708 140 N HA -0.205 4.535 4.740 0.000 0.000 0.249 140 N C 0.464 175.967 175.510 -0.013 0.000 1.097 140 N CA 1.637 54.678 53.050 -0.015 0.000 0.710 140 N CB -1.073 37.398 38.487 -0.027 0.000 1.032 140 N HN 1.068 nan 8.380 nan 0.000 0.551 141 G N -1.743 107.055 108.800 -0.003 0.000 2.143 141 G HA2 -0.316 3.645 3.960 0.000 0.000 0.249 141 G HA3 -0.316 3.645 3.960 0.000 0.000 0.249 141 G C 0.234 175.130 174.900 -0.006 0.000 0.981 141 G CA 0.854 45.954 45.100 -0.001 0.000 0.665 141 G HN 1.306 nan 8.290 nan 0.000 0.528 142 S N -0.573 115.120 115.700 -0.013 0.000 2.585 142 S HA 0.527 4.997 4.470 0.000 0.000 0.273 142 S C 0.080 174.672 174.600 -0.014 0.000 1.339 142 S CA -0.025 58.163 58.200 -0.020 0.000 1.028 142 S CB 1.878 65.058 63.200 -0.032 0.000 0.906 142 S HN 0.649 nan 8.310 nan 0.000 0.528 143 N N 2.163 120.847 118.700 -0.027 0.000 2.485 143 N HA 0.380 5.120 4.740 0.000 0.000 0.243 143 N C -1.719 173.776 175.510 -0.025 0.000 0.987 143 N CA -2.530 50.497 53.050 -0.039 0.000 0.940 143 N CB 1.321 39.757 38.487 -0.086 0.000 1.122 143 N HN 0.371 nan 8.380 nan 0.000 0.509 144 P HA -0.039 nan 4.420 nan 0.000 0.233 144 P C 0.280 177.599 177.300 0.031 0.000 1.167 144 P CA 0.825 63.940 63.100 0.025 0.000 0.770 144 P CB 0.535 32.266 31.700 0.051 0.000 0.837 145 E N -0.182 120.021 120.200 0.005 0.000 2.347 145 E HA -0.106 4.244 4.350 0.000 0.000 0.196 145 E C 0.859 177.461 176.600 0.003 0.000 1.008 145 E CA 0.586 57.005 56.400 0.031 0.000 0.852 145 E CB -0.150 29.508 29.700 -0.069 0.000 0.783 145 E HN 0.291 nan 8.360 nan 0.000 0.505 146 Q N 2.291 122.062 119.800 -0.047 0.000 2.307 146 Q HA 0.023 4.363 4.340 0.000 0.000 0.259 146 Q C -0.853 175.156 176.000 0.015 0.000 0.998 146 Q CA -0.143 55.636 55.803 -0.039 0.000 0.923 146 Q CB 0.679 29.383 28.738 -0.057 0.000 1.196 146 Q HN -0.166 nan 8.270 nan 0.000 0.416 147 D N 6.048 126.476 120.400 0.046 0.000 2.358 147 D HA 0.052 4.692 4.640 0.000 0.000 0.258 147 D C -1.675 174.643 176.300 0.029 0.000 1.223 147 D CA -1.872 52.156 54.000 0.045 0.000 0.886 147 D CB 1.250 42.090 40.800 0.066 0.000 1.120 147 D HN 0.418 nan 8.370 nan 0.000 0.482 148 P HA -0.092 nan 4.420 nan 0.000 0.225 148 P C 1.055 178.359 177.300 0.005 0.000 1.148 148 P CA 0.748 63.848 63.100 -0.001 0.000 0.779 148 P CB 0.317 32.005 31.700 -0.021 0.000 0.780 149 L N -1.303 119.928 121.223 0.013 0.000 2.728 149 L HA 0.245 4.585 4.340 0.000 0.000 0.238 149 L C 1.434 178.320 176.870 0.026 0.000 1.143 149 L CA 0.054 54.903 54.840 0.014 0.000 0.937 149 L CB 0.008 42.071 42.059 0.007 0.000 1.225 149 L HN -0.209 nan 8.230 nan 0.000 0.507 150 R N -0.021 120.504 120.500 0.042 0.000 2.734 150 R HA 0.230 4.570 4.340 0.000 0.000 0.395 150 R C -0.418 175.942 176.300 0.100 0.000 1.096 150 R CA -0.272 55.865 56.100 0.062 0.000 1.071 150 R CB 0.353 30.693 30.300 0.066 0.000 1.348 150 R HN 0.051 nan 8.270 nan 0.000 0.600 151 N N 0.573 119.310 118.700 0.061 0.000 2.432 151 N HA 0.376 5.117 4.740 0.000 0.000 0.292 151 N C -0.836 174.589 175.510 -0.142 0.000 1.193 151 N CA -0.643 52.422 53.050 0.025 0.000 0.878 151 N CB 1.256 39.753 38.487 0.017 0.000 1.252 151 N HN 0.072 nan 8.380 nan 0.000 0.520 152 L N 1.987 122.935 121.223 -0.459 0.000 2.360 152 L HA 0.242 4.582 4.340 0.000 0.000 0.265 152 L C 1.259 177.922 176.870 -0.345 0.000 1.066 152 L CA -0.276 54.184 54.840 -0.634 0.000 0.929 152 L CB 0.581 41.887 42.059 -1.255 0.000 1.306 152 L HN 0.639 nan 8.230 nan 0.000 0.434 153 S N -0.357 115.246 115.700 -0.162 0.000 2.436 153 S HA -0.069 4.401 4.470 0.000 0.000 0.228 153 S C 1.847 176.404 174.600 -0.073 0.000 1.014 153 S CA 0.636 58.791 58.200 -0.075 0.000 0.950 153 S CB -0.091 63.082 63.200 -0.045 0.000 0.784 153 S HN 0.640 nan 8.310 nan 0.000 0.504 154 G N 0.720 109.461 108.800 -0.098 0.000 2.598 154 G HA2 0.018 3.978 3.960 0.000 0.000 0.215 154 G HA3 0.018 3.978 3.960 0.000 0.000 0.215 154 G C 0.636 175.493 174.900 -0.071 0.000 1.131 154 G CA -0.088 44.966 45.100 -0.077 0.000 0.785 154 G HN 0.359 nan 8.290 nan 0.000 0.539 155 Q N 0.555 120.293 119.800 -0.103 0.000 2.313 155 Q HA 0.537 4.877 4.340 0.000 0.000 0.266 155 Q C -0.179 175.837 176.000 0.027 0.000 0.989 155 Q CA 0.176 55.945 55.803 -0.056 0.000 0.890 155 Q CB 1.440 30.116 28.738 -0.104 0.000 1.200 155 Q HN 0.267 nan 8.270 nan 0.000 0.396 156 A N 2.117 124.964 122.820 0.046 0.000 2.587 156 A HA 0.746 5.066 4.320 0.000 0.000 0.293 156 A C -0.962 176.676 177.584 0.091 0.000 1.087 156 A CA -0.575 51.500 52.037 0.062 0.000 0.692 156 A CB 1.377 20.399 19.000 0.036 0.000 1.291 156 A HN 0.477 nan 8.150 nan 0.000 0.407 157 V N -1.976 118.006 119.914 0.113 0.000 3.001 157 V HA 0.963 5.083 4.120 0.000 0.000 0.314 157 V C -0.465 175.717 176.094 0.146 0.000 1.099 157 V CA -0.513 61.876 62.300 0.148 0.000 0.989 157 V CB 1.669 33.623 31.823 0.218 0.000 1.040 157 V HN 0.896 nan 8.190 nan 0.000 0.434 158 T N 2.578 117.219 114.554 0.146 0.000 2.841 158 T HA 0.570 4.920 4.350 0.000 0.000 0.285 158 T C -0.362 174.391 174.700 0.089 0.000 0.991 158 T CA -0.470 61.705 62.100 0.125 0.000 0.966 158 T CB 1.218 70.184 68.868 0.163 0.000 0.962 158 T HN 0.771 nan 8.240 nan 0.000 0.438 159 R N 2.582 123.123 120.500 0.067 0.000 2.505 159 R HA 0.564 4.904 4.340 0.000 0.000 0.284 159 R C -0.571 175.750 176.300 0.035 0.000 1.324 159 R CA -0.526 55.586 56.100 0.021 0.000 1.432 159 R CB 0.670 30.962 30.300 -0.014 0.000 1.107 159 R HN 0.511 nan 8.270 nan 0.000 0.587 160 V N -2.055 117.880 119.914 0.036 0.000 3.114 160 V HA 0.484 4.604 4.120 0.000 0.000 0.308 160 V C 0.086 176.199 176.094 0.032 0.000 1.168 160 V CA -1.129 61.195 62.300 0.041 0.000 1.015 160 V CB 2.036 33.892 31.823 0.054 0.000 1.050 160 V HN 0.070 nan 8.190 nan 0.000 0.433 161 V N 3.246 123.182 119.914 0.036 0.000 2.599 161 V HA 0.488 4.608 4.120 0.000 0.000 0.300 161 V C 1.703 177.817 176.094 0.034 0.000 1.034 161 V CA 1.964 64.286 62.300 0.037 0.000 1.115 161 V CB 0.077 31.924 31.823 0.040 0.000 0.934 161 V HN 2.035 nan 8.190 nan 0.000 0.485 162 G N 3.338 112.154 108.800 0.026 0.000 2.195 162 G HA2 -0.017 3.943 3.960 0.000 0.000 0.246 162 G HA3 -0.017 3.943 3.960 0.000 0.000 0.246 162 G C 0.989 175.869 174.900 -0.033 0.000 0.984 162 G CA 0.274 45.379 45.100 0.009 0.000 0.633 162 G HN 2.118 nan 8.290 nan 0.000 0.525 163 G N 0.013 108.802 108.800 -0.018 0.000 2.581 163 G HA2 -0.257 3.703 3.960 0.000 0.000 0.291 163 G HA3 -0.257 3.703 3.960 0.000 0.000 0.291 163 G C 1.132 175.975 174.900 -0.095 0.000 1.277 163 G CA 1.160 46.239 45.100 -0.035 0.000 0.959 163 G HN 1.089 nan 8.290 nan 0.000 0.554 164 M N 1.532 121.036 119.600 -0.160 0.000 2.630 164 M HA 0.012 4.492 4.480 0.000 0.000 0.254 164 M C 2.627 178.582 176.300 -0.574 0.000 1.092 164 M CA 1.566 56.635 55.300 -0.386 0.000 1.087 164 M CB -0.145 32.306 32.600 -0.248 0.000 1.453 164 M HN 0.688 nan 8.290 nan 0.000 0.509 165 S N -0.820 114.599 115.700 -0.470 0.000 2.607 165 S HA -0.053 4.417 4.470 0.000 0.000 0.224 165 S C 1.645 176.114 174.600 -0.217 0.000 0.969 165 S CA 1.038 58.860 58.200 -0.630 0.000 0.927 165 S CB -0.919 61.927 63.200 -0.590 0.000 0.772 165 S HN 0.559 nan 8.310 nan 0.000 0.533 166 T N -0.658 113.777 114.554 -0.199 0.000 3.118 166 T HA 0.024 4.374 4.350 0.000 0.000 0.260 166 T C 1.340 175.859 174.700 -0.302 0.000 1.139 166 T CA 0.902 62.914 62.100 -0.147 0.000 1.085 166 T CB -0.687 68.182 68.868 0.002 0.000 0.934 166 T HN 0.912 nan 8.240 nan 0.000 0.518 167 H N -1.921 117.034 119.070 -0.192 0.000 3.680 167 H HA 0.199 4.755 4.556 0.000 0.000 0.260 167 H C 0.509 176.019 175.328 0.304 0.000 1.183 167 H CA -1.016 55.041 56.048 0.015 0.000 1.159 167 H CB -0.368 29.442 29.762 0.080 0.000 1.567 167 H HN 0.454 nan 8.280 nan 0.000 0.648 168 W N 2.687 123.930 121.300 -0.095 0.000 2.042 168 W HA 0.297 4.957 4.660 0.000 0.000 0.358 168 W C 0.007 176.652 176.519 0.209 0.000 1.325 168 W CA 0.037 57.445 57.345 0.106 0.000 1.311 168 W CB -0.243 29.210 29.460 -0.012 0.000 1.210 168 W HN -0.168 nan 8.180 nan 0.000 0.620 169 T N 0.621 115.192 114.554 0.028 0.000 3.067 169 T HA 0.022 4.372 4.350 0.000 0.000 0.257 169 T C 0.956 175.295 174.700 -0.602 0.000 1.105 169 T CA 1.158 63.112 62.100 -0.242 0.000 1.104 169 T CB -0.442 68.442 68.868 0.026 0.000 0.925 169 T HN 0.661 nan 8.240 nan 0.000 0.498 170 C N 0.965 119.565 119.300 -1.167 0.000 4.761 170 C HA -0.082 4.378 4.460 0.000 0.000 0.250 170 C C 1.027 175.525 174.990 -0.819 0.000 1.232 170 C CA -0.812 57.159 59.018 -1.744 0.000 1.596 170 C CB -2.560 24.611 27.740 -0.948 0.000 1.604 170 C HN 0.754 nan 8.230 nan 0.000 0.685 171 A N 1.066 123.637 122.820 -0.415 0.000 2.409 171 A HA 0.593 4.913 4.320 0.000 0.000 0.267 171 A C 0.760 178.266 177.584 -0.129 0.000 1.127 171 A CA 1.085 53.022 52.037 -0.167 0.000 0.795 171 A CB 0.209 19.186 19.000 -0.040 0.000 1.061 171 A HN 1.400 nan 8.150 nan 0.000 0.502 172 T N 1.392 115.889 114.554 -0.095 0.000 3.504 172 T HA 0.494 4.844 4.350 0.000 0.000 0.286 172 T C -2.672 171.989 174.700 -0.066 0.000 1.530 172 T CA -1.344 60.734 62.100 -0.036 0.000 1.652 172 T CB 0.527 69.414 68.868 0.032 0.000 0.895 172 T HN 0.469 nan 8.240 nan 0.000 0.674 173 P HA 0.394 nan 4.420 nan 0.000 0.277 173 P C -0.220 176.944 177.300 -0.227 0.000 1.240 173 P CA -0.642 62.368 63.100 -0.150 0.000 0.798 173 P CB 1.289 32.879 31.700 -0.184 0.000 0.979 174 R N 0.847 121.135 120.500 -0.354 0.000 2.615 174 R HA 0.407 4.747 4.340 0.000 0.000 0.270 174 R C 0.103 176.288 176.300 -0.191 0.000 1.081 174 R CA -0.415 55.276 56.100 -0.682 0.000 1.154 174 R CB 0.194 29.961 30.300 -0.887 0.000 1.063 174 R HN 0.385 nan 8.270 nan 0.000 0.519 175 F N 1.577 121.307 119.950 -0.366 0.000 2.384 175 F HA 0.076 4.603 4.527 0.000 0.000 0.338 175 F C 0.943 176.560 175.800 -0.304 0.000 1.103 175 F CA -1.645 56.159 58.000 -0.327 0.000 1.157 175 F CB 0.380 39.179 39.000 -0.336 0.000 1.167 175 F HN 0.535 nan 8.300 nan 0.000 0.529 176 D N 2.145 122.476 120.400 -0.116 0.000 2.398 176 D HA 0.133 4.773 4.640 0.000 0.000 0.247 176 D C 0.994 177.213 176.300 -0.135 0.000 1.227 176 D CA -0.438 53.496 54.000 -0.110 0.000 0.980 176 D CB 0.586 41.340 40.800 -0.078 0.000 1.106 176 D HN 0.481 nan 8.370 nan 0.000 0.493 177 R N -0.124 120.322 120.500 -0.091 0.000 2.117 177 R HA -0.172 4.168 4.340 0.000 0.000 0.243 177 R C 2.013 178.261 176.300 -0.088 0.000 1.143 177 R CA 1.581 57.631 56.100 -0.082 0.000 0.968 177 R CB -0.253 30.034 30.300 -0.022 0.000 0.863 177 R HN 0.627 nan 8.270 nan 0.000 0.444 178 E N 0.559 120.707 120.200 -0.087 0.000 2.118 178 E HA -0.237 4.113 4.350 0.000 0.000 0.195 178 E C 1.771 178.268 176.600 -0.172 0.000 0.992 178 E CA 1.307 57.660 56.400 -0.079 0.000 0.804 178 E CB 0.068 29.764 29.700 -0.006 0.000 0.741 178 E HN 0.481 nan 8.360 nan 0.000 0.458 179 Q N -0.476 119.118 119.800 -0.342 0.000 2.356 179 Q HA 0.113 4.453 4.340 0.000 0.000 0.205 179 Q C 0.489 176.385 176.000 -0.173 0.000 0.901 179 Q CA -0.096 55.438 55.803 -0.448 0.000 0.938 179 Q CB 0.606 28.736 28.738 -1.014 0.000 1.081 179 Q HN -0.054 nan 8.270 nan 0.000 0.517 180 R N 1.941 122.376 120.500 -0.107 0.000 2.368 180 R HA 0.267 4.607 4.340 0.000 0.000 0.302 180 R C -2.489 173.775 176.300 -0.059 0.000 1.002 180 R CA -2.122 53.901 56.100 -0.129 0.000 0.929 180 R CB 0.797 30.830 30.300 -0.445 0.000 1.073 180 R HN -0.115 nan 8.270 nan 0.000 0.464 181 P HA -0.029 nan 4.420 nan 0.000 0.267 181 P C -0.681 176.790 177.300 0.285 0.000 1.200 181 P CA 0.095 63.289 63.100 0.156 0.000 0.772 181 P CB 0.491 32.325 31.700 0.223 0.000 0.855 182 L N 3.119 124.478 121.223 0.226 0.000 2.360 182 L HA 0.127 4.467 4.340 0.000 0.000 0.276 182 L C 1.565 178.592 176.870 0.262 0.000 1.121 182 L CA 0.017 55.050 54.840 0.322 0.000 0.845 182 L CB 0.133 42.421 42.059 0.382 0.000 1.143 182 L HN 0.387 nan 8.230 nan 0.000 0.452 183 L N 3.866 125.283 121.223 0.323 0.000 2.470 183 L HA 0.195 4.535 4.340 0.000 0.000 0.219 183 L C -0.113 176.941 176.870 0.305 0.000 1.071 183 L CA 0.211 55.129 54.840 0.130 0.000 0.850 183 L CB 0.620 42.555 42.059 -0.207 0.000 1.040 183 L HN 0.314 nan 8.230 nan 0.000 0.475 184 V N 0.762 120.854 119.914 0.298 0.000 2.407 184 V HA 0.236 4.357 4.120 0.000 0.000 0.291 184 V C -0.126 176.067 176.094 0.166 0.000 1.018 184 V CA -1.060 61.358 62.300 0.196 0.000 0.842 184 V CB 1.549 33.433 31.823 0.102 0.000 0.996 184 V HN 0.094 nan 8.190 nan 0.000 0.426 185 K N 3.143 123.524 120.400 -0.031 0.000 2.401 185 K HA 0.131 4.451 4.320 0.000 0.000 0.278 185 K C 0.289 176.860 176.600 -0.048 0.000 1.018 185 K CA 0.157 56.359 56.287 -0.142 0.000 0.981 185 K CB 0.151 32.409 32.500 -0.403 0.000 0.933 185 K HN 0.760 nan 8.250 nan 0.000 0.477 186 D N 1.669 122.062 120.400 -0.012 0.000 2.882 186 D HA -0.201 4.439 4.640 0.000 0.000 0.229 186 D C -0.643 175.665 176.300 0.013 0.000 1.167 186 D CA 1.346 55.345 54.000 -0.001 0.000 0.759 186 D CB -0.637 40.149 40.800 -0.024 0.000 1.088 186 D HN 0.564 nan 8.370 nan 0.000 0.425 187 D N -1.194 119.226 120.400 0.033 0.000 2.411 187 D HA 0.459 5.099 4.640 0.000 0.000 0.239 187 D C 0.807 177.144 176.300 0.063 0.000 1.307 187 D CA 0.088 54.111 54.000 0.039 0.000 0.930 187 D CB 0.585 41.402 40.800 0.029 0.000 1.395 187 D HN -0.020 nan 8.370 nan 0.000 0.536 188 A N 2.410 125.267 122.820 0.063 0.000 2.015 188 A HA -0.097 4.223 4.320 0.000 0.000 0.219 188 A C 1.567 179.202 177.584 0.085 0.000 1.163 188 A CA 1.137 53.222 52.037 0.079 0.000 0.646 188 A CB 0.143 19.182 19.000 0.064 0.000 0.806 188 A HN 0.398 nan 8.150 nan 0.000 0.448 189 D N -0.252 120.188 120.400 0.067 0.000 2.216 189 D HA 0.119 4.759 4.640 0.000 0.000 0.208 189 D C 2.220 178.561 176.300 0.069 0.000 0.960 189 D CA 1.156 55.194 54.000 0.065 0.000 0.861 189 D CB -0.330 40.498 40.800 0.047 0.000 0.985 189 D HN 0.367 nan 8.370 nan 0.000 0.493 190 A N 0.954 123.810 122.820 0.060 0.000 1.978 190 A HA -0.228 4.092 4.320 0.000 0.000 0.220 190 A C 1.929 179.557 177.584 0.074 0.000 1.170 190 A CA 2.069 54.139 52.037 0.053 0.000 0.636 190 A CB -0.535 18.489 19.000 0.039 0.000 0.810 190 A HN 0.199 nan 8.150 nan 0.000 0.448 191 D N -0.711 119.760 120.400 0.117 0.000 2.123 191 D HA -0.117 4.523 4.640 0.000 0.000 0.200 191 D C 1.301 177.769 176.300 0.279 0.000 0.976 191 D CA 1.296 55.412 54.000 0.193 0.000 0.831 191 D CB -0.103 40.843 40.800 0.243 0.000 0.974 191 D HN 0.320 nan 8.370 nan 0.000 0.469 192 D N -0.109 120.423 120.400 0.221 0.000 2.123 192 D HA -0.127 4.513 4.640 0.000 0.000 0.196 192 D C 1.998 178.413 176.300 0.192 0.000 0.992 192 D CA 1.494 55.626 54.000 0.219 0.000 0.833 192 D CB -0.540 40.342 40.800 0.136 0.000 0.954 192 D HN 0.314 nan 8.370 nan 0.000 0.455 193 A N 0.522 123.414 122.820 0.120 0.000 1.902 193 A HA -0.219 4.101 4.320 0.000 0.000 0.217 193 A C 2.147 179.760 177.584 0.048 0.000 1.181 193 A CA 2.038 54.121 52.037 0.075 0.000 0.623 193 A CB -0.610 18.417 19.000 0.045 0.000 0.818 193 A HN 0.227 nan 8.150 nan 0.000 0.443 194 E N -0.991 119.217 120.200 0.013 0.000 2.047 194 E HA -0.201 4.149 4.350 0.000 0.000 0.191 194 E C 1.717 178.223 176.600 -0.156 0.000 0.987 194 E CA 1.546 57.882 56.400 -0.106 0.000 0.799 194 E CB -0.483 29.109 29.700 -0.180 0.000 0.752 194 E HN 0.707 nan 8.360 nan 0.000 0.449 195 W N 0.858 122.126 121.300 -0.053 0.000 2.338 195 W HA -0.155 4.505 4.660 0.000 0.000 0.304 195 W C 2.219 178.739 176.519 0.002 0.000 1.212 195 W CA 1.349 58.630 57.345 -0.107 0.000 1.264 195 W CB -0.440 29.010 29.460 -0.016 0.000 1.142 195 W HN 0.267 nan 8.180 nan 0.000 0.512 196 D N -0.105 120.471 120.400 0.293 0.000 2.117 196 D HA -0.218 4.422 4.640 0.000 0.000 0.197 196 D C 2.138 178.512 176.300 0.124 0.000 0.987 196 D CA 1.545 55.681 54.000 0.227 0.000 0.829 196 D CB -0.249 40.639 40.800 0.146 0.000 0.961 196 D HN -0.032 nan 8.370 nan 0.000 0.460 197 R N -0.395 120.128 120.500 0.038 0.000 2.081 197 R HA -0.083 4.257 4.340 0.000 0.000 0.235 197 R C 2.461 178.719 176.300 -0.071 0.000 1.131 197 R CA 1.105 57.190 56.100 -0.024 0.000 0.960 197 R CB -0.255 30.010 30.300 -0.058 0.000 0.856 197 R HN 0.268 nan 8.270 nan 0.000 0.436 198 L N -0.747 120.399 121.223 -0.129 0.000 2.027 198 L HA -0.168 4.172 4.340 0.000 0.000 0.206 198 L C 2.285 179.079 176.870 -0.126 0.000 1.074 198 L CA 1.069 55.777 54.840 -0.220 0.000 0.745 198 L CB -0.580 41.235 42.059 -0.407 0.000 0.898 198 L HN 0.202 nan 8.230 nan 0.000 0.433 199 Y N 0.532 120.829 120.300 -0.005 0.000 2.181 199 Y HA -0.238 4.312 4.550 0.000 0.000 0.288 199 Y C 2.883 178.760 175.900 -0.038 0.000 1.146 199 Y CA 1.545 59.652 58.100 0.011 0.000 1.164 199 Y CB -1.133 37.368 38.460 0.068 0.000 0.982 199 Y HN 0.147 nan 8.280 nan 0.000 0.515 200 T N -0.393 114.234 114.554 0.120 0.000 2.746 200 T HA -0.210 4.140 4.350 0.000 0.000 0.267 200 T C 1.988 176.648 174.700 -0.068 0.000 1.039 200 T CA 1.691 63.808 62.100 0.029 0.000 1.142 200 T CB -0.175 68.704 68.868 0.019 0.000 0.866 200 T HN 0.216 nan 8.240 nan 0.000 0.444 201 K N 0.805 121.107 120.400 -0.164 0.000 2.057 201 K HA 0.014 4.334 4.320 0.000 0.000 0.206 201 K C 2.517 178.767 176.600 -0.583 0.000 1.050 201 K CA 1.103 57.154 56.287 -0.394 0.000 0.935 201 K CB -0.274 31.950 32.500 -0.460 0.000 0.715 201 K HN 0.274 nan 8.250 nan 0.000 0.439 202 A N 1.190 123.798 122.820 -0.354 0.000 1.933 202 A HA -0.188 4.132 4.320 0.000 0.000 0.218 202 A C 1.794 179.372 177.584 -0.010 0.000 1.175 202 A CA 1.624 53.521 52.037 -0.233 0.000 0.628 202 A CB -0.418 18.552 19.000 -0.050 0.000 0.814 202 A HN 0.429 nan 8.150 nan 0.000 0.444 203 E N 0.224 120.458 120.200 0.056 0.000 2.077 203 E HA -0.167 4.183 4.350 0.000 0.000 0.193 203 E C 2.390 179.061 176.600 0.118 0.000 0.989 203 E CA 1.500 57.980 56.400 0.134 0.000 0.800 203 E CB -0.202 29.554 29.700 0.093 0.000 0.746 203 E HN 0.808 nan 8.360 nan 0.000 0.452 204 S N 0.262 115.974 115.700 0.021 0.000 2.382 204 S HA -0.187 4.283 4.470 0.000 0.000 0.228 204 S C 1.940 176.655 174.600 0.192 0.000 1.027 204 S CA 0.815 59.053 58.200 0.063 0.000 0.991 204 S CB -0.475 62.731 63.200 0.010 0.000 0.823 204 S HN 0.207 nan 8.310 nan 0.000 0.469 205 Y N 0.584 120.893 120.300 0.015 0.000 2.242 205 Y HA 0.156 4.706 4.550 0.000 0.000 0.291 205 Y C 2.058 177.985 175.900 0.045 0.000 1.137 205 Y CA -0.235 57.842 58.100 -0.039 0.000 1.181 205 Y CB -1.117 37.230 38.460 -0.188 0.000 0.989 205 Y HN 0.288 nan 8.280 nan 0.000 0.527 206 F N 0.106 120.205 119.950 0.249 0.000 2.710 206 F HA 0.015 4.542 4.527 0.000 0.000 0.298 206 F C 0.864 176.773 175.800 0.183 0.000 1.137 206 F CA 0.276 58.417 58.000 0.234 0.000 1.444 206 F CB -0.355 38.805 39.000 0.266 0.000 1.111 206 F HN -0.002 nan 8.300 nan 0.000 0.580 207 Q N 0.426 120.417 119.800 0.318 0.000 2.478 207 Q HA -0.184 4.156 4.340 0.000 0.000 0.286 207 Q C 0.054 176.141 176.000 0.145 0.000 1.299 207 Q CA 0.734 56.649 55.803 0.186 0.000 0.826 207 Q CB -2.690 26.137 28.738 0.148 0.000 1.199 207 Q HN 0.223 nan 8.270 nan 0.000 0.451 208 T N -0.028 114.626 114.554 0.167 0.000 2.928 208 T HA 0.448 4.798 4.350 0.000 0.000 0.305 208 T C 0.798 175.530 174.700 0.054 0.000 1.035 208 T CA 0.607 62.767 62.100 0.101 0.000 1.145 208 T CB 1.288 70.225 68.868 0.116 0.000 0.963 208 T HN 0.493 nan 8.240 nan 0.000 0.545 209 G N 0.587 109.402 108.800 0.026 0.000 2.682 209 G HA2 0.567 4.527 3.960 0.000 0.000 0.290 209 G HA3 0.567 4.527 3.960 0.000 0.000 0.290 209 G C -0.039 174.872 174.900 0.018 0.000 1.425 209 G CA -0.504 44.604 45.100 0.014 0.000 0.807 209 G HN 0.644 nan 8.290 nan 0.000 0.482 210 T N -2.465 112.101 114.554 0.020 0.000 3.460 210 T HA 0.275 4.625 4.350 0.000 0.000 0.304 210 T C -0.030 174.691 174.700 0.035 0.000 0.991 210 T CA 0.458 62.581 62.100 0.038 0.000 0.975 210 T CB 0.389 69.284 68.868 0.044 0.000 1.196 210 T HN 0.514 nan 8.240 nan 0.000 0.490 211 D N 0.208 120.609 120.400 0.002 0.000 2.527 211 D HA 0.097 4.737 4.640 0.000 0.000 0.224 211 D C 1.199 177.438 176.300 -0.102 0.000 1.217 211 D CA -0.143 53.837 54.000 -0.032 0.000 0.819 211 D CB 0.041 40.817 40.800 -0.039 0.000 1.061 211 D HN 0.273 nan 8.370 nan 0.000 0.515 212 Q N -0.544 119.188 119.800 -0.113 0.000 2.435 212 Q HA 0.222 4.562 4.340 0.000 0.000 0.207 212 Q C 0.262 175.878 176.000 -0.639 0.000 0.956 212 Q CA 0.788 56.391 55.803 -0.333 0.000 0.917 212 Q CB -0.171 28.354 28.738 -0.356 0.000 0.997 212 Q HN 0.277 nan 8.270 nan 0.000 0.497 213 F N 0.023 119.819 119.950 -0.256 0.000 2.683 213 F HA 0.231 4.758 4.527 0.000 0.000 0.306 213 F C 1.322 176.934 175.800 -0.313 0.000 1.102 213 F CA -0.555 57.251 58.000 -0.324 0.000 1.244 213 F CB 0.371 39.087 39.000 -0.473 0.000 1.029 213 F HN -0.014 nan 8.300 nan 0.000 0.545 214 K N 0.522 120.849 120.400 -0.122 0.000 2.152 214 K HA -0.169 4.151 4.320 0.000 0.000 0.206 214 K C 0.828 177.386 176.600 -0.071 0.000 1.048 214 K CA 1.874 58.141 56.287 -0.033 0.000 0.933 214 K CB -0.290 32.170 32.500 -0.067 0.000 0.721 214 K HN 0.333 nan 8.250 nan 0.000 0.447 215 E N 1.464 121.507 120.200 -0.262 0.000 2.444 215 E HA 0.041 4.391 4.350 0.000 0.000 0.191 215 E C -0.401 176.123 176.600 -0.128 0.000 1.041 215 E CA -0.285 55.794 56.400 -0.534 0.000 0.883 215 E CB 0.725 29.973 29.700 -0.753 0.000 1.024 215 E HN 0.229 nan 8.360 nan 0.000 0.470 216 S N 0.834 116.562 115.700 0.046 0.000 2.516 216 S HA 0.098 4.568 4.470 0.000 0.000 0.282 216 S C 1.272 175.968 174.600 0.160 0.000 1.286 216 S CA -0.374 57.895 58.200 0.115 0.000 1.066 216 S CB 0.378 63.705 63.200 0.211 0.000 0.884 216 S HN 0.179 nan 8.310 nan 0.000 0.491 217 I N 5.022 125.556 120.570 -0.059 0.000 2.226 217 I HA -0.170 4.000 4.170 0.000 0.000 0.245 217 I C 2.685 178.676 176.117 -0.211 0.000 1.100 217 I CA 1.213 62.243 61.300 -0.450 0.000 1.374 217 I CB -0.207 37.299 38.000 -0.822 0.000 1.057 217 I HN 0.696 nan 8.210 nan 0.000 0.413 218 R N -0.584 119.872 120.500 -0.073 0.000 2.092 218 R HA -0.195 4.145 4.340 0.000 0.000 0.231 218 R C 2.344 178.693 176.300 0.081 0.000 1.119 218 R CA 1.442 57.540 56.100 -0.003 0.000 0.970 218 R CB -0.574 29.729 30.300 0.006 0.000 0.864 218 R HN 0.417 nan 8.270 nan 0.000 0.440 219 H N 1.373 120.475 119.070 0.054 0.000 2.290 219 H HA -0.063 4.493 4.556 0.000 0.000 0.298 219 H C 1.792 177.196 175.328 0.127 0.000 1.087 219 H CA 1.971 58.069 56.048 0.083 0.000 1.291 219 H CB -0.106 29.737 29.762 0.135 0.000 1.369 219 H HN 0.107 nan 8.280 nan 0.000 0.492 220 N N 0.122 118.933 118.700 0.186 0.000 2.166 220 N HA -0.137 4.603 4.740 0.000 0.000 0.186 220 N C 2.059 177.710 175.510 0.234 0.000 1.019 220 N CA 1.059 54.251 53.050 0.236 0.000 0.856 220 N CB -0.313 38.520 38.487 0.576 0.000 0.993 220 N HN 0.298 nan 8.380 nan 0.000 0.426 221 L N 1.319 122.710 121.223 0.280 0.000 2.013 221 L HA -0.144 4.196 4.340 0.000 0.000 0.212 221 L C 2.191 179.108 176.870 0.079 0.000 1.073 221 L CA 1.369 56.349 54.840 0.234 0.000 0.753 221 L CB -0.563 41.607 42.059 0.184 0.000 0.890 221 L HN -0.103 nan 8.230 nan 0.000 0.432 222 V N -0.970 118.949 119.914 0.007 0.000 2.307 222 V HA -0.245 3.875 4.120 0.000 0.000 0.245 222 V C 2.394 178.409 176.094 -0.131 0.000 1.045 222 V CA 1.560 63.826 62.300 -0.056 0.000 1.024 222 V CB -0.607 31.160 31.823 -0.093 0.000 0.651 222 V HN 0.472 nan 8.190 nan 0.000 0.449 223 L N 1.030 122.142 121.223 -0.185 0.000 2.012 223 L HA -0.186 4.154 4.340 0.000 0.000 0.210 223 L C 2.208 179.008 176.870 -0.117 0.000 1.073 223 L CA 2.104 56.828 54.840 -0.194 0.000 0.748 223 L CB -0.989 40.912 42.059 -0.262 0.000 0.891 223 L HN 0.326 nan 8.230 nan 0.000 0.431 224 N N -0.251 118.426 118.700 -0.039 0.000 2.120 224 N HA -0.201 4.539 4.740 0.000 0.000 0.188 224 N C 1.838 177.322 175.510 -0.043 0.000 1.024 224 N CA 1.280 54.322 53.050 -0.014 0.000 0.852 224 N CB -0.329 38.172 38.487 0.024 0.000 1.003 224 N HN 0.270 nan 8.380 nan 0.000 0.424 225 K N 1.338 121.710 120.400 -0.046 0.000 2.025 225 K HA 0.076 4.396 4.320 0.000 0.000 0.207 225 K C 1.932 178.477 176.600 -0.092 0.000 1.049 225 K CA 0.888 57.148 56.287 -0.046 0.000 0.933 225 K CB -0.479 32.013 32.500 -0.014 0.000 0.714 225 K HN 0.126 nan 8.250 nan 0.000 0.438 226 L N 0.088 121.179 121.223 -0.219 0.000 2.093 226 L HA -0.150 4.190 4.340 0.000 0.000 0.208 226 L C 2.208 178.848 176.870 -0.384 0.000 1.085 226 L CA 1.613 56.182 54.840 -0.451 0.000 0.755 226 L CB -0.731 40.663 42.059 -1.108 0.000 0.904 226 L HN 0.242 nan 8.230 nan 0.000 0.435 227 T N -0.747 113.654 114.554 -0.255 0.000 2.684 227 T HA -0.256 4.094 4.350 0.000 0.000 0.267 227 T C 1.795 176.538 174.700 0.070 0.000 1.036 227 T CA 1.779 63.896 62.100 0.027 0.000 1.148 227 T CB -0.164 68.734 68.868 0.049 0.000 0.863 227 T HN 0.433 nan 8.240 nan 0.000 0.436 228 E N 0.749 120.956 120.200 0.011 0.000 2.072 228 E HA -0.178 4.173 4.350 0.000 0.000 0.191 228 E C 2.002 178.603 176.600 0.002 0.000 0.985 228 E CA 0.975 57.379 56.400 0.006 0.000 0.801 228 E CB -0.031 29.657 29.700 -0.020 0.000 0.750 228 E HN 0.356 nan 8.360 nan 0.000 0.452 229 E N -0.341 119.854 120.200 -0.008 0.000 2.204 229 E HA -0.140 4.210 4.350 0.000 0.000 0.194 229 E C 0.807 177.299 176.600 -0.181 0.000 0.989 229 E CA 0.853 57.195 56.400 -0.096 0.000 0.824 229 E CB -0.035 29.595 29.700 -0.117 0.000 0.756 229 E HN 0.458 nan 8.360 nan 0.000 0.477 230 Y N 0.256 120.588 120.300 0.054 0.000 2.636 230 Y HA 0.201 4.751 4.550 0.000 0.000 0.260 230 Y C 0.559 176.524 175.900 0.108 0.000 1.177 230 Y CA -0.458 57.715 58.100 0.121 0.000 1.209 230 Y CB 0.408 39.038 38.460 0.284 0.000 1.166 230 Y HN -0.266 nan 8.280 nan 0.000 0.531 231 K N 0.707 121.204 120.400 0.162 0.000 2.491 231 K HA 0.148 4.468 4.320 0.000 0.000 0.279 231 K C 1.240 177.897 176.600 0.095 0.000 1.026 231 K CA 1.391 57.749 56.287 0.118 0.000 1.070 231 K CB -0.087 32.451 32.500 0.063 0.000 0.887 231 K HN 0.624 nan 8.250 nan 0.000 0.481 232 G N 3.016 111.873 108.800 0.095 0.000 2.179 232 G HA2 -0.298 3.662 3.960 0.000 0.000 0.260 232 G HA3 -0.298 3.662 3.960 0.000 0.000 0.260 232 G C 0.580 175.531 174.900 0.085 0.000 0.977 232 G CA 0.713 45.857 45.100 0.073 0.000 0.641 232 G HN 0.729 nan 8.290 nan 0.000 0.533 233 Q N -1.416 118.461 119.800 0.127 0.000 2.577 233 Q HA 0.278 4.618 4.340 0.000 0.000 0.242 233 Q C 1.116 177.196 176.000 0.133 0.000 0.818 233 Q CA 0.091 55.978 55.803 0.141 0.000 0.962 233 Q CB 1.002 29.852 28.738 0.187 0.000 1.272 233 Q HN 0.459 nan 8.270 nan 0.000 0.593 234 R N 0.658 121.253 120.500 0.159 0.000 2.771 234 R HA 0.392 4.732 4.340 0.000 0.000 0.274 234 R C -1.580 174.732 176.300 0.020 0.000 0.987 234 R CA -0.725 55.370 56.100 -0.009 0.000 0.908 234 R CB 1.690 31.792 30.300 -0.330 0.000 1.213 234 R HN -0.016 nan 8.270 nan 0.000 0.468 235 D N 1.494 121.828 120.400 -0.110 0.000 2.168 235 D HA 0.356 4.996 4.640 0.000 0.000 0.246 235 D C -0.708 175.405 176.300 -0.312 0.000 1.050 235 D CA 0.058 54.027 54.000 -0.051 0.000 0.857 235 D CB 1.173 41.959 40.800 -0.023 0.000 1.169 235 D HN 0.132 nan 8.370 nan 0.000 0.453 236 F N 0.825 120.775 119.950 -0.000 0.000 2.507 236 F HA 0.394 4.921 4.527 0.000 0.000 0.327 236 F C 0.772 176.580 175.800 0.014 0.000 1.068 236 F CA -0.593 57.399 58.000 -0.013 0.000 0.965 236 F CB 1.687 40.671 39.000 -0.027 0.000 1.192 236 F HN 0.223 nan 8.300 nan 0.000 0.476 237 Q N -0.103 119.800 119.800 0.171 0.000 2.814 237 Q HA 0.331 4.671 4.340 0.000 0.000 0.322 237 Q C -1.547 174.563 176.000 0.183 0.000 0.861 237 Q CA -1.303 54.591 55.803 0.152 0.000 0.773 237 Q CB 1.677 30.472 28.738 0.095 0.000 1.423 237 Q HN 0.617 nan 8.270 nan 0.000 0.495 238 Q N 0.945 120.876 119.800 0.218 0.000 2.332 238 Q HA 0.246 4.586 4.340 0.000 0.000 0.263 238 Q C -0.562 175.510 176.000 0.120 0.000 0.979 238 Q CA -0.255 55.690 55.803 0.237 0.000 0.885 238 Q CB 0.516 29.358 28.738 0.174 0.000 1.218 238 Q HN 0.567 nan 8.270 nan 0.000 0.405 239 I N 6.649 127.269 120.570 0.083 0.000 2.826 239 I HA -0.080 4.090 4.170 0.000 0.000 0.295 239 I C -1.965 174.174 176.117 0.036 0.000 1.213 239 I CA -1.246 60.078 61.300 0.040 0.000 1.436 239 I CB 0.141 38.135 38.000 -0.010 0.000 1.348 239 I HN 0.488 nan 8.210 nan 0.000 0.570 240 P HA 0.228 nan 4.420 nan 0.000 0.270 240 P C -0.910 176.384 177.300 -0.009 0.000 1.242 240 P CA 0.153 63.260 63.100 0.011 0.000 0.768 240 P CB 0.399 32.094 31.700 -0.008 0.000 0.820 241 L N 2.542 123.767 121.223 0.004 0.000 2.365 241 L HA 0.643 4.983 4.340 0.000 0.000 0.273 241 L C 0.391 177.243 176.870 -0.029 0.000 1.000 241 L CA -1.132 53.701 54.840 -0.012 0.000 0.819 241 L CB 2.059 44.173 42.059 0.092 0.000 1.284 241 L HN 0.234 nan 8.230 nan 0.000 0.418 242 A N 3.183 125.938 122.820 -0.108 0.000 2.666 242 A HA 0.760 5.080 4.320 0.000 0.000 0.312 242 A C -0.005 177.581 177.584 0.004 0.000 1.471 242 A CA 0.068 52.079 52.037 -0.043 0.000 1.134 242 A CB -0.344 18.550 19.000 -0.177 0.000 1.129 242 A HN 0.783 nan 8.150 nan 0.000 0.539 243 A N 1.673 124.474 122.820 -0.032 0.000 2.590 243 A HA 0.741 5.061 4.320 0.000 0.000 0.294 243 A C -0.529 176.933 177.584 -0.203 0.000 1.046 243 A CA -0.462 51.458 52.037 -0.194 0.000 0.684 243 A CB 0.763 19.470 19.000 -0.488 0.000 1.279 243 A HN 0.620 nan 8.150 nan 0.000 0.415 244 T N 1.378 115.781 114.554 -0.252 0.000 2.879 244 T HA 0.475 4.825 4.350 0.000 0.000 0.290 244 T C -0.124 174.428 174.700 -0.247 0.000 0.993 244 T CA -0.439 61.548 62.100 -0.188 0.000 0.975 244 T CB 1.277 70.097 68.868 -0.081 0.000 0.981 244 T HN 0.705 nan 8.240 nan 0.000 0.439 245 R N 2.250 122.596 120.500 -0.256 0.000 2.442 245 R HA 0.243 4.583 4.340 0.000 0.000 0.291 245 R C 0.756 176.982 176.300 -0.124 0.000 1.069 245 R CA -0.366 55.580 56.100 -0.256 0.000 1.022 245 R CB 0.368 30.486 30.300 -0.303 0.000 0.976 245 R HN 0.409 nan 8.270 nan 0.000 0.443 246 R N 0.977 121.461 120.500 -0.027 0.000 2.225 246 R HA 0.130 4.470 4.340 0.000 0.000 0.194 246 R C 0.297 176.585 176.300 -0.020 0.000 0.957 246 R CA 0.643 56.747 56.100 0.007 0.000 1.042 246 R CB 0.332 30.677 30.300 0.076 0.000 1.004 246 R HN 0.750 nan 8.270 nan 0.000 0.509 247 S N -1.467 114.232 115.700 -0.002 0.000 2.672 247 S HA 0.384 4.854 4.470 0.000 0.000 0.271 247 S C -2.586 171.988 174.600 -0.044 0.000 1.171 247 S CA -1.036 57.150 58.200 -0.022 0.000 0.817 247 S CB 2.046 65.247 63.200 0.002 0.000 1.150 247 S HN -0.262 nan 8.310 nan 0.000 0.478 248 P HA 0.017 nan 4.420 nan 0.000 0.221 248 P C 0.974 178.249 177.300 -0.043 0.000 1.145 248 P CA 1.777 64.840 63.100 -0.063 0.000 0.795 248 P CB -0.156 31.523 31.700 -0.035 0.000 0.775 249 T N -6.340 108.222 114.554 0.013 0.000 3.132 249 T HA 0.308 4.658 4.350 0.000 0.000 0.274 249 T C -0.263 174.494 174.700 0.096 0.000 1.011 249 T CA -0.376 61.749 62.100 0.042 0.000 0.899 249 T CB -0.657 68.251 68.868 0.067 0.000 1.089 249 T HN -0.124 nan 8.240 nan 0.000 0.543 250 F N 1.562 121.454 119.950 -0.097 0.000 2.585 250 F HA 0.631 5.158 4.527 0.000 0.000 0.319 250 F C -1.555 174.122 175.800 -0.204 0.000 1.165 250 F CA -1.119 56.819 58.000 -0.102 0.000 0.949 250 F CB 1.860 40.816 39.000 -0.075 0.000 1.218 250 F HN -0.104 nan 8.300 nan 0.000 0.453 251 V N 5.287 124.803 119.914 -0.665 0.000 2.384 251 V HA 0.298 4.418 4.120 0.000 0.000 0.287 251 V C -0.343 175.137 176.094 -1.023 0.000 1.020 251 V CA -0.829 60.998 62.300 -0.790 0.000 0.850 251 V CB 1.610 32.798 31.823 -1.058 0.000 0.987 251 V HN 0.727 nan 8.190 nan 0.000 0.436 252 E N 4.382 124.268 120.200 -0.524 0.000 2.105 252 E HA 0.196 4.546 4.350 0.000 0.000 0.285 252 E C -1.175 175.178 176.600 -0.411 0.000 1.055 252 E CA -0.549 55.692 56.400 -0.265 0.000 0.843 252 E CB 0.538 30.306 29.700 0.112 0.000 1.067 252 E HN 0.630 nan 8.360 nan 0.000 0.398 253 W N 3.174 124.370 121.300 -0.174 0.000 2.272 253 W HA 0.190 4.850 4.660 0.000 0.000 0.318 253 W C 0.466 177.011 176.519 0.044 0.000 1.255 253 W CA -0.611 56.612 57.345 -0.204 0.000 1.200 253 W CB 1.048 30.150 29.460 -0.596 0.000 1.170 253 W HN 0.347 nan 8.180 nan 0.000 0.549 254 S N 1.728 117.629 115.700 0.334 0.000 2.624 254 S HA 0.649 5.119 4.470 0.000 0.000 0.263 254 S C 0.123 175.158 174.600 0.726 0.000 1.287 254 S CA -0.589 57.881 58.200 0.450 0.000 0.990 254 S CB 1.150 64.623 63.200 0.456 0.000 0.950 254 S HN 0.521 nan 8.310 nan 0.000 0.561 255 S N -0.563 115.519 115.700 0.636 0.000 2.683 255 S HA 0.654 5.124 4.470 0.000 0.000 0.269 255 S C 0.702 175.508 174.600 0.344 0.000 1.165 255 S CA -0.354 58.148 58.200 0.503 0.000 0.840 255 S CB 0.492 63.924 63.200 0.387 0.000 1.169 255 S HN 0.753 nan 8.310 nan 0.000 0.490 256 A N 1.479 124.393 122.820 0.157 0.000 1.948 256 A HA -0.179 4.141 4.320 0.000 0.000 0.220 256 A C 1.976 179.617 177.584 0.096 0.000 1.177 256 A CA 2.122 54.213 52.037 0.090 0.000 0.636 256 A CB -1.481 17.538 19.000 0.031 0.000 0.815 256 A HN 0.854 nan 8.150 nan 0.000 0.449 257 N N -0.540 118.225 118.700 0.110 0.000 2.223 257 N HA -0.150 4.590 4.740 0.000 0.000 0.185 257 N C 1.479 177.026 175.510 0.063 0.000 1.016 257 N CA 1.955 55.043 53.050 0.063 0.000 0.863 257 N CB -0.191 38.344 38.487 0.081 0.000 0.983 257 N HN 0.466 nan 8.380 nan 0.000 0.429 258 T N 0.379 115.020 114.554 0.146 0.000 2.788 258 T HA -0.057 4.293 4.350 0.000 0.000 0.268 258 T C 2.060 176.806 174.700 0.077 0.000 1.044 258 T CA 1.039 63.228 62.100 0.150 0.000 1.139 258 T CB -0.152 68.885 68.868 0.282 0.000 0.867 258 T HN 0.053 nan 8.240 nan 0.000 0.454 259 V N -0.510 119.432 119.914 0.046 0.000 2.346 259 V HA 0.187 4.307 4.120 0.000 0.000 0.244 259 V C 0.473 176.534 176.094 -0.055 0.000 1.037 259 V CA 0.924 63.170 62.300 -0.089 0.000 1.029 259 V CB -0.298 31.421 31.823 -0.173 0.000 0.663 259 V HN 0.487 nan 8.190 nan 0.000 0.454 260 F N 0.968 120.799 119.950 -0.198 0.000 2.605 260 F HA 0.391 4.918 4.527 0.000 0.000 0.320 260 F C 0.223 175.914 175.800 -0.182 0.000 1.159 260 F CA -1.606 56.248 58.000 -0.243 0.000 0.999 260 F CB 1.458 40.258 39.000 -0.334 0.000 1.258 260 F HN 0.168 nan 8.300 nan 0.000 0.464 261 D N 4.667 124.612 120.400 -0.757 0.000 2.363 261 D HA -0.036 4.604 4.640 0.000 0.000 0.220 261 D C 1.162 177.186 176.300 -0.461 0.000 0.994 261 D CA 1.051 54.773 54.000 -0.463 0.000 0.890 261 D CB -0.048 40.528 40.800 -0.373 0.000 0.906 261 D HN 0.676 nan 8.370 nan 0.000 0.530 262 L N -1.868 118.880 121.223 -0.791 0.000 4.696 262 L HA -0.239 4.101 4.340 0.000 0.000 0.425 262 L C -0.233 176.607 176.870 -0.050 0.000 1.115 262 L CA 0.460 55.154 54.840 -0.243 0.000 0.996 262 L CB -1.353 40.719 42.059 0.022 0.000 2.077 262 L HN 0.228 nan 8.230 nan 0.000 0.792 263 Q N 0.913 120.584 119.800 -0.215 0.000 2.327 263 Q HA 0.239 4.579 4.340 0.000 0.000 0.254 263 Q C 0.383 176.447 176.000 0.108 0.000 0.952 263 Q CA -0.157 55.611 55.803 -0.058 0.000 0.884 263 Q CB 0.666 29.337 28.738 -0.112 0.000 1.224 263 Q HN 0.135 nan 8.270 nan 0.000 0.422 264 N N 1.978 120.735 118.700 0.094 0.000 2.454 264 N HA 0.077 4.817 4.740 0.000 0.000 0.254 264 N C -0.301 175.266 175.510 0.096 0.000 1.228 264 N CA 0.432 53.538 53.050 0.092 0.000 0.900 264 N CB 0.568 39.013 38.487 -0.070 0.000 1.089 264 N HN 0.264 nan 8.380 nan 0.000 0.449 265 R N 1.179 121.758 120.500 0.132 0.000 2.744 265 R HA 0.475 4.815 4.340 0.000 0.000 0.279 265 R C -2.557 173.784 176.300 0.068 0.000 0.977 265 R CA -1.639 54.526 56.100 0.108 0.000 0.906 265 R CB 1.713 32.104 30.300 0.152 0.000 1.197 265 R HN 0.341 nan 8.270 nan 0.000 0.463 266 P HA 0.073 nan 4.420 nan 0.000 0.268 266 P C -1.216 176.134 177.300 0.082 0.000 1.205 266 P CA -0.163 63.015 63.100 0.130 0.000 0.771 266 P CB 0.591 32.422 31.700 0.220 0.000 0.858 267 N N -0.762 117.978 118.700 0.068 0.000 3.157 267 N HA 0.281 5.021 4.740 0.000 0.000 0.291 267 N C 0.455 175.984 175.510 0.031 0.000 1.515 267 N CA -0.733 52.340 53.050 0.038 0.000 0.807 267 N CB -0.464 38.033 38.487 0.016 0.000 1.672 267 N HN 0.019 nan 8.380 nan 0.000 0.592 268 T N -0.703 113.859 114.554 0.015 0.000 2.788 268 T HA -0.076 4.274 4.350 0.000 0.000 0.268 268 T C 0.246 174.950 174.700 0.007 0.000 1.044 268 T CA 1.572 63.677 62.100 0.010 0.000 1.139 268 T CB -0.463 68.406 68.868 0.002 0.000 0.867 268 T HN 0.511 nan 8.240 nan 0.000 0.454 269 D N 1.145 121.545 120.400 -0.000 0.000 2.317 269 D HA 0.177 4.817 4.640 0.000 0.000 0.211 269 D C 0.825 177.129 176.300 0.007 0.000 0.966 269 D CA 0.397 54.394 54.000 -0.005 0.000 0.876 269 D CB 0.084 40.871 40.800 -0.021 0.000 0.927 269 D HN 0.409 nan 8.370 nan 0.000 0.519 270 A N 0.781 123.615 122.820 0.023 0.000 3.453 270 A HA 0.293 4.613 4.320 0.000 0.000 0.262 270 A C -1.951 175.684 177.584 0.084 0.000 1.026 270 A CA -0.751 51.314 52.037 0.046 0.000 0.938 270 A CB 0.789 19.812 19.000 0.040 0.000 1.246 270 A HN -0.152 nan 8.150 nan 0.000 0.546 271 P HA -0.077 nan 4.420 nan 0.000 0.226 271 P C 0.587 178.006 177.300 0.198 0.000 1.153 271 P CA 1.251 64.413 63.100 0.104 0.000 0.777 271 P CB 0.483 32.209 31.700 0.043 0.000 0.794 272 E N -0.715 119.608 120.200 0.205 0.000 2.498 272 E HA 0.106 4.457 4.350 0.000 0.000 0.203 272 E C 0.300 177.125 176.600 0.374 0.000 1.013 272 E CA -0.013 56.595 56.400 0.347 0.000 0.927 272 E CB 0.206 30.012 29.700 0.178 0.000 1.012 272 E HN 0.372 nan 8.360 nan 0.000 0.482 273 E N 0.234 120.565 120.200 0.219 0.000 2.250 273 E HA 0.490 4.840 4.350 0.000 0.000 0.265 273 E C -0.372 176.238 176.600 0.016 0.000 1.033 273 E CA -0.651 55.814 56.400 0.108 0.000 0.888 273 E CB 1.466 31.234 29.700 0.114 0.000 1.151 273 E HN -0.130 nan 8.360 nan 0.000 0.412 274 R N 1.737 122.226 120.500 -0.019 0.000 2.507 274 R HA 0.379 4.719 4.340 0.000 0.000 0.298 274 R C -1.693 174.677 176.300 0.116 0.000 1.087 274 R CA -0.492 55.564 56.100 -0.073 0.000 0.917 274 R CB 0.883 31.009 30.300 -0.291 0.000 1.173 274 R HN 0.388 nan 8.270 nan 0.000 0.472 275 F N 2.236 122.164 119.950 -0.037 0.000 2.604 275 F HA 0.442 4.969 4.527 0.000 0.000 0.316 275 F C -1.676 174.064 175.800 -0.100 0.000 1.136 275 F CA -0.634 57.345 58.000 -0.034 0.000 0.989 275 F CB 1.963 41.012 39.000 0.081 0.000 1.258 275 F HN 0.378 nan 8.300 nan 0.000 0.451 276 N N 4.650 122.689 118.700 -1.101 0.000 2.249 276 N HA 0.631 5.371 4.740 0.000 0.000 0.296 276 N C -2.079 172.415 175.510 -1.692 0.000 1.051 276 N CA -0.719 51.611 53.050 -1.201 0.000 0.815 276 N CB 2.431 40.401 38.487 -0.862 0.000 1.487 276 N HN 0.561 nan 8.380 nan 0.000 0.475 277 L N 2.241 122.679 121.223 -1.309 0.000 2.307 277 L HA 0.639 4.979 4.340 0.000 0.000 0.284 277 L C -1.692 174.612 176.870 -0.943 0.000 1.023 277 L CA -0.315 53.995 54.840 -0.882 0.000 0.810 277 L CB 0.300 42.193 42.059 -0.277 0.000 1.231 277 L HN 0.478 nan 8.230 nan 0.000 0.423 278 F N 6.310 126.011 119.950 -0.415 0.000 2.443 278 F HA 0.533 5.060 4.527 0.000 0.000 0.369 278 F C -2.137 173.615 175.800 -0.080 0.000 1.090 278 F CA -2.114 55.739 58.000 -0.246 0.000 1.129 278 F CB 0.720 39.518 39.000 -0.337 0.000 1.367 278 F HN 0.411 nan 8.300 nan 0.000 0.465 279 P HA 0.297 nan 4.420 nan 0.000 0.274 279 P C 0.040 177.404 177.300 0.107 0.000 1.256 279 P CA -0.127 63.020 63.100 0.078 0.000 0.795 279 P CB 0.994 32.718 31.700 0.039 0.000 1.038 280 A N -0.797 122.069 122.820 0.077 0.000 2.822 280 A HA -0.112 4.208 4.320 0.000 0.000 0.287 280 A C -0.014 177.608 177.584 0.063 0.000 1.479 280 A CA 0.721 52.795 52.037 0.062 0.000 0.779 280 A CB -2.434 16.600 19.000 0.057 0.000 1.022 280 A HN 0.265 nan 8.150 nan 0.000 0.532 281 V N -0.009 119.961 119.914 0.093 0.000 2.349 281 V HA 0.629 4.749 4.120 0.000 0.000 0.284 281 V C 0.699 176.813 176.094 0.033 0.000 1.014 281 V CA -0.291 62.069 62.300 0.100 0.000 0.826 281 V CB 1.309 33.291 31.823 0.265 0.000 1.009 281 V HN 1.447 nan 8.190 nan 0.000 0.431 282 A N 4.433 127.242 122.820 -0.018 0.000 2.444 282 A HA 0.346 4.666 4.320 0.000 0.000 0.273 282 A C 0.301 177.879 177.584 -0.010 0.000 1.136 282 A CA -0.121 51.894 52.037 -0.037 0.000 0.799 282 A CB -0.313 18.698 19.000 0.019 0.000 1.081 282 A HN 0.868 nan 8.150 nan 0.000 0.509 283 C N 3.194 122.464 119.300 -0.051 0.000 2.482 283 C HA 0.269 4.729 4.460 0.000 0.000 0.378 283 C C 1.417 176.393 174.990 -0.024 0.000 1.284 283 C CA -0.258 58.723 59.018 -0.063 0.000 1.826 283 C CB -0.640 27.049 27.740 -0.085 0.000 2.473 283 C HN 1.002 nan 8.230 nan 0.000 0.562 284 E N 0.925 121.147 120.200 0.036 0.000 2.244 284 E HA 0.119 4.469 4.350 0.000 0.000 0.196 284 E C 0.510 177.086 176.600 -0.040 0.000 0.939 284 E CA 0.451 56.858 56.400 0.013 0.000 0.884 284 E CB 0.501 30.227 29.700 0.044 0.000 0.850 284 E HN 0.595 nan 8.360 nan 0.000 0.481 285 R N 0.637 121.125 120.500 -0.020 0.000 2.566 285 R HA 0.241 4.581 4.340 0.000 0.000 0.271 285 R C -1.282 174.991 176.300 -0.045 0.000 1.071 285 R CA -0.467 55.605 56.100 -0.047 0.000 0.915 285 R CB 2.372 32.629 30.300 -0.073 0.000 1.228 285 R HN -0.072 nan 8.270 nan 0.000 0.449 286 V N 0.280 120.152 119.914 -0.069 0.000 2.539 286 V HA 0.605 4.725 4.120 0.000 0.000 0.292 286 V C -0.066 175.972 176.094 -0.093 0.000 1.045 286 V CA -0.713 61.513 62.300 -0.125 0.000 0.945 286 V CB 1.707 33.420 31.823 -0.184 0.000 0.993 286 V HN 0.368 nan 8.190 nan 0.000 0.464 287 V N 5.272 125.112 119.914 -0.124 0.000 2.350 287 V HA 0.460 4.580 4.120 0.000 0.000 0.276 287 V C 0.572 176.634 176.094 -0.053 0.000 1.028 287 V CA -0.494 61.763 62.300 -0.071 0.000 0.860 287 V CB 0.826 32.622 31.823 -0.045 0.000 0.990 287 V HN 0.940 nan 8.190 nan 0.000 0.453 288 R N 3.701 124.189 120.500 -0.021 0.000 2.490 288 R HA 0.311 4.651 4.340 0.000 0.000 0.278 288 R C 0.291 176.617 176.300 0.042 0.000 1.069 288 R CA -0.601 55.541 56.100 0.071 0.000 1.080 288 R CB 0.631 30.952 30.300 0.036 0.000 1.030 288 R HN 0.852 nan 8.270 nan 0.000 0.491 289 N N 1.304 120.042 118.700 0.064 0.000 2.399 289 N HA 0.008 4.748 4.740 0.000 0.000 0.250 289 N C 0.507 176.013 175.510 -0.007 0.000 1.272 289 N CA 0.058 53.120 53.050 0.019 0.000 0.928 289 N CB 0.653 39.148 38.487 0.013 0.000 1.158 289 N HN 0.597 nan 8.380 nan 0.000 0.463 290 A N 0.961 123.771 122.820 -0.017 0.000 1.978 290 A HA -0.081 4.239 4.320 0.000 0.000 0.220 290 A C 2.140 179.700 177.584 -0.041 0.000 1.170 290 A CA 0.959 52.980 52.037 -0.027 0.000 0.636 290 A CB -0.786 18.201 19.000 -0.022 0.000 0.810 290 A HN 0.674 nan 8.150 nan 0.000 0.448 291 L N -0.985 120.207 121.223 -0.052 0.000 2.478 291 L HA -0.040 4.300 4.340 0.000 0.000 0.223 291 L C 0.125 176.914 176.870 -0.135 0.000 1.140 291 L CA 0.114 54.908 54.840 -0.077 0.000 0.842 291 L CB -0.437 41.579 42.059 -0.072 0.000 0.953 291 L HN 0.416 nan 8.230 nan 0.000 0.452 292 N N -0.044 118.563 118.700 -0.154 0.000 2.740 292 N HA -0.173 4.567 4.740 0.000 0.000 0.248 292 N C 0.862 175.863 175.510 -0.847 0.000 1.062 292 N CA 1.058 53.921 53.050 -0.311 0.000 0.704 292 N CB -1.273 37.142 38.487 -0.120 0.000 0.968 292 N HN 0.535 nan 8.380 nan 0.000 0.547 293 S N -1.938 113.379 115.700 -0.637 0.000 2.666 293 S HA 0.302 4.772 4.470 0.000 0.000 0.239 293 S C 0.263 174.629 174.600 -0.391 0.000 1.031 293 S CA -0.129 57.724 58.200 -0.578 0.000 1.015 293 S CB 1.549 64.605 63.200 -0.240 0.000 0.981 293 S HN 0.408 nan 8.310 nan 0.000 0.547 294 E N 0.214 120.301 120.200 -0.188 0.000 2.380 294 E HA 0.409 4.759 4.350 0.000 0.000 0.281 294 E C -1.743 175.044 176.600 0.312 0.000 0.999 294 E CA -0.831 55.673 56.400 0.173 0.000 0.800 294 E CB 1.191 30.953 29.700 0.104 0.000 1.228 294 E HN 0.089 nan 8.360 nan 0.000 0.436 295 I N 3.386 124.102 120.570 0.243 0.000 2.396 295 I HA 0.155 4.325 4.170 0.000 0.000 0.292 295 I C 0.855 176.924 176.117 -0.079 0.000 0.999 295 I CA 0.069 61.342 61.300 -0.046 0.000 1.310 295 I CB 1.307 39.055 38.000 -0.420 0.000 1.404 295 I HN 0.702 nan 8.210 nan 0.000 0.496 296 E N 3.110 123.252 120.200 -0.097 0.000 2.413 296 E HA 0.093 4.443 4.350 0.000 0.000 0.203 296 E C 0.227 176.849 176.600 0.036 0.000 0.957 296 E CA 0.340 56.750 56.400 0.017 0.000 0.950 296 E CB 0.703 30.420 29.700 0.028 0.000 0.957 296 E HN 0.728 nan 8.360 nan 0.000 0.497 297 S N -0.349 115.283 115.700 -0.114 0.000 2.615 297 S HA 0.484 4.954 4.470 0.000 0.000 0.268 297 S C -1.552 172.990 174.600 -0.098 0.000 1.146 297 S CA -1.057 57.154 58.200 0.020 0.000 0.818 297 S CB 1.300 64.541 63.200 0.069 0.000 1.111 297 S HN 0.018 nan 8.310 nan 0.000 0.465 298 L N 1.844 123.108 121.223 0.069 0.000 2.333 298 L HA 0.657 4.997 4.340 0.000 0.000 0.280 298 L C -0.641 176.217 176.870 -0.019 0.000 1.004 298 L CA -0.187 54.656 54.840 0.004 0.000 0.820 298 L CB 1.298 43.392 42.059 0.058 0.000 1.247 298 L HN 1.007 nan 8.230 nan 0.000 0.416 299 H N 5.243 124.259 119.070 -0.091 0.000 2.562 299 H HA 0.637 5.193 4.556 0.000 0.000 0.314 299 H C -0.498 174.764 175.328 -0.110 0.000 1.079 299 H CA -0.408 55.590 56.048 -0.083 0.000 1.349 299 H CB 0.849 30.567 29.762 -0.073 0.000 1.432 299 H HN 0.688 nan 8.280 nan 0.000 0.479 300 I N 1.666 122.007 120.570 -0.381 0.000 2.846 300 I HA 0.418 4.588 4.170 0.000 0.000 0.307 300 I C -1.234 174.797 176.117 -0.143 0.000 1.053 300 I CA -0.989 60.183 61.300 -0.213 0.000 1.050 300 I CB 2.474 40.260 38.000 -0.358 0.000 1.239 300 I HN 0.698 nan 8.210 nan 0.000 0.439 301 H N 2.836 121.852 119.070 -0.090 0.000 3.013 301 H HA 0.237 4.793 4.556 0.000 0.000 0.326 301 H C -1.586 173.745 175.328 0.006 0.000 0.973 301 H CA -0.699 55.320 56.048 -0.047 0.000 1.369 301 H CB 1.408 31.191 29.762 0.035 0.000 1.598 301 H HN 0.791 nan 8.280 nan 0.000 0.518 302 D N 5.518 125.921 120.400 0.005 0.000 2.339 302 D HA 0.012 4.652 4.640 0.000 0.000 0.256 302 D C 1.122 177.290 176.300 -0.219 0.000 1.214 302 D CA -0.124 53.864 54.000 -0.021 0.000 0.877 302 D CB 0.975 41.871 40.800 0.160 0.000 1.111 302 D HN 0.661 nan 8.370 nan 0.000 0.478 303 L N 4.039 125.135 121.223 -0.211 0.000 2.291 303 L HA -0.096 4.244 4.340 0.000 0.000 0.214 303 L C 1.775 178.597 176.870 -0.080 0.000 1.120 303 L CA 0.163 54.868 54.840 -0.225 0.000 0.799 303 L CB -0.147 41.853 42.059 -0.098 0.000 0.925 303 L HN 0.508 nan 8.230 nan 0.000 0.446 304 I N -0.295 120.265 120.570 -0.017 0.000 2.270 304 I HA -0.147 4.023 4.170 0.000 0.000 0.239 304 I C 2.819 178.952 176.117 0.027 0.000 1.080 304 I CA 1.660 62.970 61.300 0.017 0.000 1.383 304 I CB -1.368 36.657 38.000 0.041 0.000 1.097 304 I HN 0.261 nan 8.210 nan 0.000 0.420 305 S N 0.655 116.385 115.700 0.049 0.000 2.387 305 S HA 0.028 4.498 4.470 0.000 0.000 0.226 305 S C 1.898 176.526 174.600 0.047 0.000 1.026 305 S CA 1.203 59.440 58.200 0.062 0.000 0.972 305 S CB -0.290 62.977 63.200 0.111 0.000 0.814 305 S HN 0.649 nan 8.310 nan 0.000 0.477 306 G N 1.123 109.946 108.800 0.039 0.000 2.213 306 G HA2 -0.190 3.770 3.960 0.000 0.000 0.236 306 G HA3 -0.190 3.770 3.960 0.000 0.000 0.236 306 G C -0.357 174.610 174.900 0.111 0.000 0.991 306 G CA 0.117 45.282 45.100 0.109 0.000 0.629 306 G HN 0.583 nan 8.290 nan 0.000 0.517 307 D N 0.644 121.025 120.400 -0.030 0.000 2.357 307 D HA 0.503 5.143 4.640 0.000 0.000 0.242 307 D C 0.852 176.873 176.300 -0.465 0.000 1.153 307 D CA 0.211 54.027 54.000 -0.307 0.000 0.918 307 D CB 0.651 41.147 40.800 -0.508 0.000 1.181 307 D HN 0.393 nan 8.370 nan 0.000 0.435 308 R N 0.557 120.650 120.500 -0.679 0.000 2.562 308 R HA 0.571 4.911 4.340 0.000 0.000 0.298 308 R C -0.844 174.896 176.300 -0.932 0.000 0.961 308 R CA -0.662 55.067 56.100 -0.619 0.000 0.881 308 R CB 1.176 31.302 30.300 -0.290 0.000 1.159 308 R HN 0.265 nan 8.270 nan 0.000 0.450 309 F N -0.053 119.689 119.950 -0.348 0.000 2.629 309 F HA 0.321 4.848 4.527 0.000 0.000 0.316 309 F C 0.019 175.613 175.800 -0.344 0.000 1.081 309 F CA -0.995 56.847 58.000 -0.263 0.000 0.954 309 F CB 1.684 40.569 39.000 -0.192 0.000 1.337 309 F HN 0.366 nan 8.300 nan 0.000 0.474 310 E N 2.467 122.680 120.200 0.023 0.000 2.158 310 E HA 0.480 4.830 4.350 0.000 0.000 0.271 310 E C -1.571 175.046 176.600 0.028 0.000 0.911 310 E CA -0.485 55.911 56.400 -0.007 0.000 0.767 310 E CB 1.032 30.753 29.700 0.034 0.000 1.120 310 E HN 0.426 nan 8.360 nan 0.000 0.405 311 I N 3.671 124.250 120.570 0.014 0.000 2.404 311 I HA 0.351 4.521 4.170 0.000 0.000 0.293 311 I C -0.166 176.061 176.117 0.183 0.000 0.992 311 I CA -0.860 60.486 61.300 0.075 0.000 1.149 311 I CB 1.353 39.353 38.000 -0.000 0.000 1.315 311 I HN 0.516 nan 8.210 nan 0.000 0.446 312 K N 3.912 124.425 120.400 0.188 0.000 2.221 312 K HA 0.856 5.176 4.320 0.000 0.000 0.258 312 K C -0.801 175.880 176.600 0.135 0.000 0.944 312 K CA -0.284 56.127 56.287 0.208 0.000 0.823 312 K CB 2.293 34.872 32.500 0.132 0.000 1.113 312 K HN 0.820 nan 8.250 nan 0.000 0.431 313 A N 1.755 124.578 122.820 0.006 0.000 2.602 313 A HA 0.364 4.684 4.320 0.000 0.000 0.290 313 A C -0.510 176.939 177.584 -0.224 0.000 1.114 313 A CA -0.659 51.248 52.037 -0.217 0.000 0.683 313 A CB 0.959 19.649 19.000 -0.517 0.000 1.281 313 A HN 0.703 nan 8.150 nan 0.000 0.416 314 D N -0.548 119.766 120.400 -0.143 0.000 2.162 314 D HA 0.107 4.747 4.640 0.000 0.000 0.203 314 D C 0.299 176.491 176.300 -0.179 0.000 0.967 314 D CA 1.677 55.662 54.000 -0.026 0.000 0.840 314 D CB 0.268 41.119 40.800 0.085 0.000 0.972 314 D HN 0.222 nan 8.370 nan 0.000 0.482 315 V N 0.683 120.342 119.914 -0.426 0.000 2.709 315 V HA 0.289 4.409 4.120 0.000 0.000 0.308 315 V C -1.299 174.524 176.094 -0.452 0.000 1.062 315 V CA -0.862 61.193 62.300 -0.409 0.000 0.901 315 V CB 1.889 33.365 31.823 -0.578 0.000 1.003 315 V HN -0.062 nan 8.190 nan 0.000 0.425 316 Y N 2.703 122.992 120.300 -0.018 0.000 2.350 316 Y HA 0.713 5.263 4.550 0.000 0.000 0.338 316 Y C -0.197 175.673 175.900 -0.051 0.000 0.961 316 Y CA -0.996 57.080 58.100 -0.039 0.000 1.100 316 Y CB 2.155 40.594 38.460 -0.036 0.000 1.179 316 Y HN 0.342 nan 8.280 nan 0.000 0.454 317 V N 5.295 125.181 119.914 -0.047 0.000 2.444 317 V HA 0.402 4.522 4.120 0.000 0.000 0.294 317 V C -0.450 175.513 176.094 -0.218 0.000 1.022 317 V CA -0.931 61.230 62.300 -0.233 0.000 0.850 317 V CB 1.691 33.140 31.823 -0.623 0.000 0.992 317 V HN 0.601 nan 8.190 nan 0.000 0.426 318 L N 5.101 126.196 121.223 -0.214 0.000 2.265 318 L HA 0.564 4.904 4.340 0.000 0.000 0.289 318 L C 0.397 177.164 176.870 -0.172 0.000 1.033 318 L CA -0.146 54.587 54.840 -0.178 0.000 0.814 318 L CB 1.474 43.408 42.059 -0.209 0.000 1.203 318 L HN 0.828 nan 8.230 nan 0.000 0.423 319 T N -1.635 112.853 114.554 -0.110 0.000 3.624 319 T HA 0.351 4.701 4.350 0.000 0.000 0.244 319 T C 0.674 175.378 174.700 0.006 0.000 1.063 319 T CA -0.086 61.988 62.100 -0.043 0.000 1.252 319 T CB 1.016 69.858 68.868 -0.043 0.000 1.021 319 T HN 0.544 nan 8.240 nan 0.000 0.590 320 A N 0.809 123.642 122.820 0.021 0.000 2.275 320 A HA 0.757 5.077 4.320 0.000 0.000 0.212 320 A C 1.413 179.071 177.584 0.124 0.000 1.201 320 A CA 0.170 52.242 52.037 0.058 0.000 0.843 320 A CB -0.656 18.372 19.000 0.047 0.000 0.873 320 A HN 1.741 nan 8.150 nan 0.000 0.492 321 G N -2.665 106.208 108.800 0.122 0.000 2.663 321 G HA2 0.284 4.244 3.960 0.000 0.000 0.686 321 G HA3 0.284 4.244 3.960 0.000 0.000 0.686 321 G C 0.707 175.710 174.900 0.172 0.000 1.246 321 G CA -0.261 44.923 45.100 0.139 0.000 0.795 321 G HN 1.239 nan 8.290 nan 0.000 0.627 322 A N -0.125 122.785 122.820 0.150 0.000 1.902 322 A HA 0.180 4.501 4.320 0.000 0.000 0.217 322 A C 2.690 180.358 177.584 0.141 0.000 1.181 322 A CA 3.266 55.386 52.037 0.139 0.000 0.623 322 A CB -0.465 18.577 19.000 0.070 0.000 0.818 322 A HN 1.621 nan 8.150 nan 0.000 0.443 323 V N -0.708 119.245 119.914 0.064 0.000 2.283 323 V HA -0.239 3.881 4.120 0.000 0.000 0.243 323 V C 2.274 178.359 176.094 -0.013 0.000 1.039 323 V CA 2.305 64.600 62.300 -0.009 0.000 1.016 323 V CB -1.097 30.600 31.823 -0.210 0.000 0.650 323 V HN 0.747 nan 8.190 nan 0.000 0.449 324 H N -0.324 118.820 119.070 0.123 0.000 2.470 324 H HA -0.036 4.520 4.556 0.000 0.000 0.289 324 H C 2.294 177.621 175.328 -0.001 0.000 1.033 324 H CA 1.024 57.102 56.048 0.050 0.000 1.331 324 H CB 0.034 29.804 29.762 0.013 0.000 1.414 324 H HN 0.326 nan 8.280 nan 0.000 0.545 325 N N -0.120 118.656 118.700 0.127 0.000 2.069 325 N HA -0.123 4.617 4.740 0.000 0.000 0.191 325 N C 1.777 177.274 175.510 -0.022 0.000 1.031 325 N CA 1.825 54.882 53.050 0.011 0.000 0.852 325 N CB -0.497 37.979 38.487 -0.018 0.000 1.018 325 N HN 0.310 nan 8.380 nan 0.000 0.423 326 T N 0.695 115.309 114.554 0.099 0.000 2.777 326 T HA -0.156 4.194 4.350 0.000 0.000 0.266 326 T C 1.835 176.408 174.700 -0.212 0.000 1.040 326 T CA 1.062 63.213 62.100 0.084 0.000 1.141 326 T CB -0.195 68.865 68.868 0.319 0.000 0.868 326 T HN 0.357 nan 8.240 nan 0.000 0.444 327 Q N 0.167 119.751 119.800 -0.361 0.000 2.084 327 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 327 Q C 2.285 178.023 176.000 -0.436 0.000 0.978 327 Q CA 1.107 56.385 55.803 -0.875 0.000 0.844 327 Q CB -0.222 28.315 28.738 -0.336 0.000 0.898 327 Q HN 0.364 nan 8.270 nan 0.000 0.426 328 L N 0.578 121.675 121.223 -0.210 0.000 2.093 328 L HA -0.107 4.233 4.340 0.000 0.000 0.208 328 L C 1.964 178.744 176.870 -0.149 0.000 1.085 328 L CA 1.488 56.237 54.840 -0.152 0.000 0.755 328 L CB -0.628 41.364 42.059 -0.111 0.000 0.904 328 L HN 0.307 nan 8.230 nan 0.000 0.435 329 L N -1.703 119.412 121.223 -0.181 0.000 2.017 329 L HA -0.213 4.127 4.340 0.000 0.000 0.208 329 L C 2.436 179.318 176.870 0.021 0.000 1.073 329 L CA 1.147 55.898 54.840 -0.148 0.000 0.745 329 L CB -0.680 41.199 42.059 -0.300 0.000 0.894 329 L HN 0.090 nan 8.230 nan 0.000 0.432 330 V N -0.209 119.642 119.914 -0.105 0.000 2.358 330 V HA -0.252 3.868 4.120 0.000 0.000 0.246 330 V C 2.114 178.167 176.094 -0.068 0.000 1.047 330 V CA 1.931 64.190 62.300 -0.069 0.000 1.035 330 V CB -0.688 31.037 31.823 -0.164 0.000 0.658 330 V HN 0.472 nan 8.190 nan 0.000 0.452 331 N N 0.182 118.802 118.700 -0.134 0.000 2.443 331 N HA -0.114 4.626 4.740 0.000 0.000 0.184 331 N C 1.643 177.118 175.510 -0.058 0.000 1.037 331 N CA 1.273 54.265 53.050 -0.096 0.000 0.896 331 N CB -0.071 38.345 38.487 -0.118 0.000 0.959 331 N HN 0.401 nan 8.380 nan 0.000 0.442 332 S N -1.588 114.105 115.700 -0.012 0.000 2.575 332 S HA 0.285 4.755 4.470 0.000 0.000 0.215 332 S C 1.191 175.774 174.600 -0.029 0.000 0.966 332 S CA 0.392 58.602 58.200 0.016 0.000 0.911 332 S CB 0.457 63.726 63.200 0.115 0.000 0.780 332 S HN 0.564 nan 8.310 nan 0.000 0.514 333 G N 0.910 109.697 108.800 -0.022 0.000 2.159 333 G HA2 -0.220 3.740 3.960 0.000 0.000 0.227 333 G HA3 -0.220 3.740 3.960 0.000 0.000 0.227 333 G C -0.040 174.779 174.900 -0.135 0.000 0.986 333 G CA -0.550 44.492 45.100 -0.097 0.000 0.651 333 G HN 0.403 nan 8.290 nan 0.000 0.523 334 F N 0.805 120.719 119.950 -0.061 0.000 2.380 334 F HA 0.539 5.066 4.527 0.000 0.000 0.325 334 F C 1.730 177.531 175.800 0.002 0.000 1.136 334 F CA 1.080 59.058 58.000 -0.038 0.000 1.171 334 F CB 0.684 39.633 39.000 -0.085 0.000 1.230 334 F HN 0.750 nan 8.300 nan 0.000 0.554 335 G N 1.491 110.430 108.800 0.233 0.000 2.596 335 G HA2 -0.290 3.670 3.960 0.000 0.000 0.295 335 G HA3 -0.290 3.670 3.960 0.000 0.000 0.295 335 G C -0.655 174.316 174.900 0.119 0.000 1.240 335 G CA 0.452 45.654 45.100 0.169 0.000 0.985 335 G HN 0.915 nan 8.290 nan 0.000 0.555 336 Q N -1.388 118.487 119.800 0.125 0.000 2.320 336 Q HA 0.630 4.970 4.340 0.000 0.000 0.272 336 Q C -1.431 174.651 176.000 0.135 0.000 1.023 336 Q CA -0.991 54.869 55.803 0.095 0.000 0.855 336 Q CB 1.780 30.557 28.738 0.065 0.000 1.367 336 Q HN 0.862 nan 8.270 nan 0.000 0.406 337 L N 3.230 124.521 121.223 0.112 0.000 2.350 337 L HA 0.815 5.155 4.340 0.000 0.000 0.275 337 L C 0.483 177.439 176.870 0.143 0.000 1.099 337 L CA 1.989 56.923 54.840 0.156 0.000 0.808 337 L CB 1.174 43.297 42.059 0.107 0.000 1.149 337 L HN 0.896 nan 8.230 nan 0.000 0.442 338 G N 3.620 112.563 108.800 0.240 0.000 2.698 338 G HA2 -0.209 3.751 3.960 0.000 0.000 0.225 338 G HA3 -0.209 3.751 3.960 0.000 0.000 0.225 338 G C -0.479 174.328 174.900 -0.155 0.000 1.345 338 G CA -0.328 44.869 45.100 0.162 0.000 0.871 338 G HN 0.826 nan 8.290 nan 0.000 0.540 339 R N 0.836 121.017 120.500 -0.532 0.000 2.489 339 R HA 0.409 4.749 4.340 0.000 0.000 0.287 339 R C -1.923 173.982 176.300 -0.658 0.000 1.053 339 R CA -0.800 54.596 56.100 -1.173 0.000 1.036 339 R CB 0.122 29.931 30.300 -0.818 0.000 0.966 339 R HN 0.357 nan 8.270 nan 0.000 0.432 340 P HA 0.006 nan 4.420 nan 0.000 0.268 340 P C -1.322 175.831 177.300 -0.245 0.000 1.205 340 P CA 0.000 62.901 63.100 -0.332 0.000 0.771 340 P CB 0.516 32.053 31.700 -0.270 0.000 0.858 341 N N 3.183 121.794 118.700 -0.149 0.000 2.504 341 N HA 0.201 4.941 4.740 0.000 0.000 0.280 341 N C -2.055 173.413 175.510 -0.069 0.000 1.052 341 N CA -1.934 51.051 53.050 -0.108 0.000 0.887 341 N CB 1.596 40.027 38.487 -0.094 0.000 1.323 341 N HN 0.024 nan 8.380 nan 0.000 0.509 342 P HA -0.113 nan 4.420 nan 0.000 0.217 342 P C 1.074 178.357 177.300 -0.027 0.000 1.148 342 P CA 1.015 64.093 63.100 -0.038 0.000 0.828 342 P CB 0.197 31.875 31.700 -0.036 0.000 0.783 343 A N -1.068 121.733 122.820 -0.032 0.000 2.186 343 A HA -0.143 4.177 4.320 0.000 0.000 0.219 343 A C 1.253 178.825 177.584 -0.020 0.000 1.159 343 A CA 1.416 53.439 52.037 -0.024 0.000 0.680 343 A CB -1.019 17.965 19.000 -0.027 0.000 0.787 343 A HN 0.269 nan 8.150 nan 0.000 0.467 344 N N -0.751 117.936 118.700 -0.022 0.000 2.732 344 N HA 0.219 4.959 4.740 0.000 0.000 0.235 344 N C -3.283 172.222 175.510 -0.008 0.000 1.466 344 N CA -1.653 51.388 53.050 -0.014 0.000 0.751 344 N CB 0.892 39.369 38.487 -0.017 0.000 1.317 344 N HN -0.057 nan 8.380 nan 0.000 0.525 345 P HA 0.211 nan 4.420 nan 0.000 0.267 345 P C -2.510 174.804 177.300 0.022 0.000 1.200 345 P CA -0.579 62.529 63.100 0.014 0.000 0.772 345 P CB -0.202 31.511 31.700 0.022 0.000 0.855 346 P HA 0.099 nan 4.420 nan 0.000 0.272 346 P C 1.072 178.397 177.300 0.042 0.000 1.230 346 P CA -0.128 62.997 63.100 0.042 0.000 0.788 346 P CB 0.622 32.363 31.700 0.068 0.000 0.949 347 E N 0.629 120.846 120.200 0.030 0.000 2.031 347 E HA -0.107 4.243 4.350 0.000 0.000 0.193 347 E C -0.045 176.588 176.600 0.056 0.000 0.994 347 E CA 0.950 57.366 56.400 0.027 0.000 0.800 347 E CB -0.045 29.657 29.700 0.003 0.000 0.752 347 E HN 0.340 nan 8.360 nan 0.000 0.447 348 L N 1.354 122.619 121.223 0.071 0.000 2.313 348 L HA 0.278 4.618 4.340 0.000 0.000 0.283 348 L C -0.078 176.917 176.870 0.208 0.000 1.013 348 L CA -0.665 54.259 54.840 0.141 0.000 0.816 348 L CB 1.649 43.756 42.059 0.080 0.000 1.236 348 L HN 0.219 nan 8.230 nan 0.000 0.419 349 L N 3.985 125.346 121.223 0.231 0.000 3.664 349 L HA -0.169 4.171 4.340 0.000 0.000 0.560 349 L C -1.439 175.541 176.870 0.183 0.000 1.285 349 L CA -0.517 54.461 54.840 0.230 0.000 0.864 349 L CB -0.833 41.384 42.059 0.263 0.000 1.512 349 L HN 0.584 nan 8.230 nan 0.000 0.853 350 P HA -0.133 nan 4.420 nan 0.000 0.223 350 P C 1.149 178.543 177.300 0.156 0.000 1.144 350 P CA 1.226 64.403 63.100 0.127 0.000 0.783 350 P CB 0.265 32.023 31.700 0.096 0.000 0.771 351 S N -0.929 114.885 115.700 0.190 0.000 2.556 351 S HA 0.098 4.568 4.470 0.000 0.000 0.216 351 S C 0.721 175.475 174.600 0.256 0.000 0.970 351 S CA -0.467 57.890 58.200 0.261 0.000 0.912 351 S CB -0.566 62.806 63.200 0.287 0.000 0.790 351 S HN 0.054 nan 8.310 nan 0.000 0.504 352 L N 2.586 123.938 121.223 0.215 0.000 2.499 352 L HA 0.427 4.767 4.340 0.000 0.000 0.273 352 L C 1.207 178.211 176.870 0.224 0.000 1.195 352 L CA 1.274 56.243 54.840 0.214 0.000 0.882 352 L CB -0.368 41.805 42.059 0.189 0.000 1.133 352 L HN 0.376 nan 8.230 nan 0.000 0.483 353 G N 2.369 111.310 108.800 0.233 0.000 2.184 353 G HA2 -0.273 3.687 3.960 0.000 0.000 0.264 353 G HA3 -0.273 3.687 3.960 0.000 0.000 0.264 353 G C 0.452 175.464 174.900 0.187 0.000 0.975 353 G CA 0.387 45.621 45.100 0.223 0.000 0.642 353 G HN 0.825 nan 8.290 nan 0.000 0.536 354 S N -1.372 114.441 115.700 0.188 0.000 2.722 354 S HA 0.637 5.107 4.470 0.000 0.000 0.292 354 S C 0.425 175.143 174.600 0.196 0.000 1.135 354 S CA 0.132 58.375 58.200 0.072 0.000 1.003 354 S CB 0.777 63.914 63.200 -0.106 0.000 1.067 354 S HN 0.932 nan 8.310 nan 0.000 0.546 355 Y N -0.965 119.404 120.300 0.114 0.000 4.177 355 Y HA -0.199 4.351 4.550 0.000 0.000 0.227 355 Y C 0.542 176.521 175.900 0.132 0.000 1.154 355 Y CA 0.151 58.317 58.100 0.111 0.000 1.887 355 Y CB -2.156 36.364 38.460 0.099 0.000 1.594 355 Y HN 0.604 nan 8.280 nan 0.000 0.668 356 I N 0.054 120.767 120.570 0.239 0.000 2.696 356 I HA 0.480 4.650 4.170 0.000 0.000 0.284 356 I C 0.618 176.882 176.117 0.246 0.000 1.129 356 I CA 0.498 61.933 61.300 0.225 0.000 1.410 356 I CB 1.357 39.484 38.000 0.213 0.000 1.399 356 I HN 0.221 nan 8.210 nan 0.000 0.579 357 T N 1.876 116.531 114.554 0.168 0.000 2.893 357 T HA 0.660 5.010 4.350 0.000 0.000 0.293 357 T C -0.733 173.967 174.700 -0.001 0.000 1.027 357 T CA -0.698 61.480 62.100 0.131 0.000 0.988 357 T CB 2.177 71.079 68.868 0.057 0.000 1.043 357 T HN 0.810 nan 8.240 nan 0.000 0.461 358 E N 1.152 121.326 120.200 -0.043 0.000 2.331 358 E HA 0.369 4.719 4.350 0.000 0.000 0.275 358 E C -1.083 175.610 176.600 0.154 0.000 0.895 358 E CA -0.559 55.800 56.400 -0.068 0.000 0.753 358 E CB 2.113 31.582 29.700 -0.384 0.000 1.216 358 E HN 0.717 nan 8.360 nan 0.000 0.434 359 Q N 1.060 120.975 119.800 0.192 0.000 2.327 359 Q HA 0.437 4.777 4.340 0.000 0.000 0.254 359 Q C -0.372 175.841 176.000 0.354 0.000 0.952 359 Q CA -0.333 55.642 55.803 0.288 0.000 0.884 359 Q CB 1.254 30.215 28.738 0.370 0.000 1.224 359 Q HN 0.442 nan 8.270 nan 0.000 0.422 360 S N 1.394 117.258 115.700 0.274 0.000 2.576 360 S HA 0.366 4.836 4.470 0.000 0.000 0.276 360 S C -0.724 173.953 174.600 0.128 0.000 1.339 360 S CA -0.473 57.769 58.200 0.070 0.000 1.039 360 S CB 0.415 63.556 63.200 -0.099 0.000 0.902 360 S HN 0.390 nan 8.310 nan 0.000 0.516 361 L N 4.058 125.320 121.223 0.064 0.000 2.439 361 L HA 0.686 5.026 4.340 0.000 0.000 0.270 361 L C -0.849 175.921 176.870 -0.167 0.000 0.972 361 L CA -0.627 54.160 54.840 -0.089 0.000 0.836 361 L CB 1.558 43.553 42.059 -0.108 0.000 1.255 361 L HN 0.464 nan 8.230 nan 0.000 0.404 362 V N 1.992 121.722 119.914 -0.307 0.000 2.769 362 V HA 0.767 4.887 4.120 0.000 0.000 0.312 362 V C -1.032 174.932 176.094 -0.217 0.000 1.058 362 V CA -0.681 61.357 62.300 -0.437 0.000 0.952 362 V CB 1.737 33.122 31.823 -0.730 0.000 1.019 362 V HN 0.816 nan 8.190 nan 0.000 0.445 363 F N 4.334 124.077 119.950 -0.346 0.000 2.596 363 F HA 0.839 5.366 4.527 0.000 0.000 0.311 363 F C -0.415 175.248 175.800 -0.228 0.000 1.116 363 F CA -0.151 57.723 58.000 -0.211 0.000 0.957 363 F CB 1.470 40.393 39.000 -0.128 0.000 1.250 363 F HN 1.219 nan 8.300 nan 0.000 0.444 364 C N 2.985 121.677 119.300 -1.014 0.000 3.320 364 C HA 0.792 5.252 4.460 0.000 0.000 0.335 364 C C -1.753 172.652 174.990 -0.974 0.000 1.430 364 C CA -0.655 57.746 59.018 -1.029 0.000 1.271 364 C CB 1.763 29.129 27.740 -0.623 0.000 1.609 364 C HN 0.949 nan 8.230 nan 0.000 0.457 365 Q N 0.628 120.099 119.800 -0.549 0.000 2.377 365 Q HA 0.749 5.089 4.340 0.000 0.000 0.271 365 Q C -0.595 175.425 176.000 0.034 0.000 1.077 365 Q CA -0.200 55.494 55.803 -0.182 0.000 0.820 365 Q CB 2.727 31.347 28.738 -0.196 0.000 1.347 365 Q HN 0.945 nan 8.270 nan 0.000 0.444 366 T N -2.449 112.195 114.554 0.150 0.000 2.924 366 T HA 0.683 5.033 4.350 0.000 0.000 0.291 366 T C -0.498 174.244 174.700 0.071 0.000 1.045 366 T CA -0.709 61.455 62.100 0.107 0.000 1.015 366 T CB 1.274 70.227 68.868 0.141 0.000 1.103 366 T HN 0.253 nan 8.240 nan 0.000 0.496 367 V N 3.029 122.953 119.914 0.016 0.000 2.370 367 V HA 0.386 4.506 4.120 0.000 0.000 0.283 367 V C 0.416 176.509 176.094 -0.002 0.000 1.023 367 V CA -0.929 61.373 62.300 0.003 0.000 0.857 367 V CB 1.024 32.840 31.823 -0.012 0.000 0.985 367 V HN 1.036 nan 8.190 nan 0.000 0.443 368 M N 4.878 124.486 119.600 0.013 0.000 2.240 368 M HA 0.034 4.514 4.480 0.000 0.000 0.346 368 M C 0.896 177.193 176.300 -0.005 0.000 1.236 368 M CA 0.775 56.084 55.300 0.015 0.000 0.986 368 M CB 0.511 33.120 32.600 0.015 0.000 1.786 368 M HN 0.946 nan 8.290 nan 0.000 0.457 369 S N 2.638 118.333 115.700 -0.008 0.000 2.568 369 S HA 0.073 4.543 4.470 0.000 0.000 0.282 369 S C 1.004 175.599 174.600 -0.008 0.000 1.338 369 S CA -0.087 58.101 58.200 -0.020 0.000 1.045 369 S CB 0.596 63.780 63.200 -0.026 0.000 0.873 369 S HN 0.809 nan 8.310 nan 0.000 0.516 370 T N 2.315 116.861 114.554 -0.012 0.000 2.720 370 T HA -0.145 4.205 4.350 0.000 0.000 0.268 370 T C 1.627 176.329 174.700 0.004 0.000 1.037 370 T CA 1.902 64.000 62.100 -0.004 0.000 1.144 370 T CB -0.489 68.374 68.868 -0.008 0.000 0.864 370 T HN 0.780 nan 8.240 nan 0.000 0.444 371 E N 0.597 120.796 120.200 -0.002 0.000 2.058 371 E HA -0.096 4.254 4.350 0.000 0.000 0.194 371 E C 2.273 178.886 176.600 0.021 0.000 0.997 371 E CA 0.968 57.371 56.400 0.005 0.000 0.801 371 E CB -0.279 29.416 29.700 -0.007 0.000 0.746 371 E HN 0.432 nan 8.360 nan 0.000 0.450 372 L N 0.706 121.943 121.223 0.024 0.000 2.056 372 L HA -0.176 4.164 4.340 0.000 0.000 0.207 372 L C 2.444 179.351 176.870 0.062 0.000 1.078 372 L CA 0.435 55.304 54.840 0.048 0.000 0.749 372 L CB -0.278 41.808 42.059 0.046 0.000 0.901 372 L HN 0.194 nan 8.230 nan 0.000 0.433 373 I N 0.122 120.715 120.570 0.039 0.000 2.163 373 I HA -0.310 3.860 4.170 0.000 0.000 0.243 373 I C 2.154 178.300 176.117 0.049 0.000 1.085 373 I CA 1.602 62.922 61.300 0.034 0.000 1.347 373 I CB -1.201 36.808 38.000 0.014 0.000 1.044 373 I HN 0.281 nan 8.210 nan 0.000 0.408 374 D N 0.674 121.101 120.400 0.044 0.000 2.144 374 D HA -0.132 4.508 4.640 0.000 0.000 0.199 374 D C 2.380 178.726 176.300 0.076 0.000 0.984 374 D CA 1.634 55.664 54.000 0.050 0.000 0.834 374 D CB -0.146 40.674 40.800 0.033 0.000 0.955 374 D HN 0.388 nan 8.370 nan 0.000 0.465 375 S N -0.059 115.695 115.700 0.090 0.000 2.419 375 S HA -0.121 4.349 4.470 0.000 0.000 0.233 375 S C 2.168 176.920 174.600 0.253 0.000 1.016 375 S CA 0.753 59.036 58.200 0.138 0.000 0.974 375 S CB -0.560 62.708 63.200 0.114 0.000 0.786 375 S HN 0.085 nan 8.310 nan 0.000 0.492 376 V N 3.078 123.120 119.914 0.214 0.000 2.324 376 V HA -0.201 3.919 4.120 0.000 0.000 0.250 376 V C 2.178 178.396 176.094 0.206 0.000 1.060 376 V CA 2.259 64.708 62.300 0.249 0.000 1.042 376 V CB -0.844 31.034 31.823 0.092 0.000 0.650 376 V HN 0.835 nan 8.190 nan 0.000 0.450 377 K N 0.505 120.988 120.400 0.138 0.000 2.570 377 K HA 0.179 4.499 4.320 0.000 0.000 0.210 377 K C 1.452 178.114 176.600 0.104 0.000 1.048 377 K CA 0.649 57.001 56.287 0.108 0.000 1.167 377 K CB 0.144 32.691 32.500 0.078 0.000 0.892 377 K HN 0.444 nan 8.250 nan 0.000 0.480 378 S N 0.459 116.241 115.700 0.137 0.000 2.423 378 S HA -0.130 4.340 4.470 0.000 0.000 0.231 378 S C 0.993 175.621 174.600 0.046 0.000 1.014 378 S CA 0.972 59.219 58.200 0.078 0.000 0.965 378 S CB -0.168 63.065 63.200 0.054 0.000 0.785 378 S HN 0.322 nan 8.310 nan 0.000 0.495 379 D N 0.893 121.334 120.400 0.069 0.000 2.339 379 D HA 0.208 4.848 4.640 0.000 0.000 0.217 379 D C 0.177 176.525 176.300 0.080 0.000 1.050 379 D CA 0.313 54.342 54.000 0.048 0.000 0.856 379 D CB 0.012 40.831 40.800 0.032 0.000 0.922 379 D HN 0.392 nan 8.370 nan 0.000 0.518 380 M N 0.530 120.174 119.600 0.073 0.000 2.249 380 M HA 0.206 4.686 4.480 0.000 0.000 0.351 380 M C 0.223 176.549 176.300 0.045 0.000 1.180 380 M CA 0.070 55.417 55.300 0.079 0.000 1.127 380 M CB 1.134 33.772 32.600 0.064 0.000 1.546 380 M HN -0.341 nan 8.290 nan 0.000 0.461 381 T N 4.166 118.739 114.554 0.031 0.000 2.733 381 T HA 0.592 4.943 4.350 0.000 0.000 0.294 381 T C -0.065 174.609 174.700 -0.044 0.000 0.956 381 T CA -0.347 61.751 62.100 -0.004 0.000 0.987 381 T CB 0.250 69.112 68.868 -0.009 0.000 0.920 381 T HN 0.335 nan 8.240 nan 0.000 0.470 382 I N 4.783 125.322 120.570 -0.051 0.000 2.377 382 I HA 0.551 4.721 4.170 0.000 0.000 0.293 382 I C 0.480 176.542 176.117 -0.092 0.000 0.987 382 I CA -0.474 60.758 61.300 -0.114 0.000 1.185 382 I CB 1.071 39.039 38.000 -0.052 0.000 1.341 382 I HN 0.578 nan 8.210 nan 0.000 0.455 383 R N 3.982 124.391 120.500 -0.151 0.000 2.764 383 R HA 0.921 5.261 4.340 0.000 0.000 0.270 383 R C -0.356 175.913 176.300 -0.053 0.000 1.014 383 R CA -0.952 55.109 56.100 -0.066 0.000 0.904 383 R CB 1.512 31.783 30.300 -0.048 0.000 1.236 383 R HN 0.872 nan 8.270 nan 0.000 0.466 384 G N 0.362 109.191 108.800 0.048 0.000 2.756 384 G HA2 -0.148 3.812 3.960 0.000 0.000 0.678 384 G HA3 -0.148 3.812 3.960 0.000 0.000 0.678 384 G C -1.003 174.050 174.900 0.255 0.000 1.349 384 G CA -0.420 44.760 45.100 0.132 0.000 0.847 384 G HN 0.733 nan 8.290 nan 0.000 0.548 385 T N 2.565 117.247 114.554 0.213 0.000 2.767 385 T HA 0.610 4.960 4.350 0.000 0.000 0.284 385 T C -2.396 172.341 174.700 0.062 0.000 0.973 385 T CA -0.915 61.266 62.100 0.134 0.000 0.996 385 T CB 1.849 70.749 68.868 0.055 0.000 0.927 385 T HN 0.509 nan 8.240 nan 0.000 0.456 386 P HA 0.234 nan 4.420 nan 0.000 0.264 386 P C 1.166 178.271 177.300 -0.325 0.000 1.183 386 P CA 0.973 63.623 63.100 -0.750 0.000 0.763 386 P CB 0.346 31.636 31.700 -0.684 0.000 0.807 387 G N 1.828 110.462 108.800 -0.277 0.000 2.308 387 G HA2 -0.172 3.788 3.960 0.000 0.000 0.221 387 G HA3 -0.172 3.788 3.960 0.000 0.000 0.221 387 G C 0.068 174.944 174.900 -0.041 0.000 1.032 387 G CA 0.001 45.029 45.100 -0.119 0.000 0.623 387 G HN 0.623 nan 8.290 nan 0.000 0.506 388 E N 0.573 120.770 120.200 -0.005 0.000 2.284 388 E HA 0.700 5.050 4.350 0.000 0.000 0.255 388 E C 0.917 177.558 176.600 0.069 0.000 1.052 388 E CA -1.017 55.401 56.400 0.030 0.000 0.904 388 E CB 0.811 30.529 29.700 0.030 0.000 1.217 388 E HN 0.007 nan 8.360 nan 0.000 0.438 389 L N 0.635 121.889 121.223 0.052 0.000 2.291 389 L HA -0.090 4.250 4.340 0.000 0.000 0.214 389 L C 2.383 179.291 176.870 0.063 0.000 1.120 389 L CA 1.913 56.783 54.840 0.051 0.000 0.799 389 L CB -1.438 40.639 42.059 0.030 0.000 0.925 389 L HN 0.829 nan 8.230 nan 0.000 0.446 390 T N -4.669 109.929 114.554 0.073 0.000 3.055 390 T HA -0.144 4.206 4.350 0.000 0.000 0.265 390 T C 0.818 175.578 174.700 0.101 0.000 1.111 390 T CA -0.055 62.086 62.100 0.068 0.000 1.118 390 T CB -0.635 68.269 68.868 0.060 0.000 0.909 390 T HN 0.096 nan 8.240 nan 0.000 0.501 391 Y N 2.749 123.048 120.300 -0.001 0.000 2.569 391 Y HA 0.423 4.973 4.550 0.000 0.000 0.332 391 Y C 0.201 176.102 175.900 0.001 0.000 1.120 391 Y CA -0.631 57.470 58.100 0.000 0.000 1.416 391 Y CB 0.192 38.651 38.460 -0.002 0.000 1.210 391 Y HN 0.153 nan 8.280 nan 0.000 0.528 392 S N 5.033 120.476 115.700 -0.428 0.000 2.557 392 S HA 0.764 5.234 4.470 0.000 0.000 0.291 392 S C -1.783 172.527 174.600 -0.482 0.000 1.116 392 S CA -0.672 57.327 58.200 -0.335 0.000 0.992 392 S CB 0.821 63.923 63.200 -0.162 0.000 1.028 392 S HN 0.435 nan 8.310 nan 0.000 0.484 393 V N 4.580 124.302 119.914 -0.320 0.000 2.443 393 V HA 0.676 4.796 4.120 0.000 0.000 0.293 393 V C -0.014 176.049 176.094 -0.051 0.000 1.021 393 V CA -0.561 61.619 62.300 -0.200 0.000 0.848 393 V CB 1.376 33.110 31.823 -0.149 0.000 0.998 393 V HN 1.014 nan 8.190 nan 0.000 0.424 394 T N 1.715 116.263 114.554 -0.011 0.000 2.883 394 T HA 0.882 5.232 4.350 0.000 0.000 0.296 394 T C -0.978 173.805 174.700 0.138 0.000 1.117 394 T CA -0.728 61.394 62.100 0.037 0.000 1.006 394 T CB 2.425 71.268 68.868 -0.041 0.000 1.191 394 T HN 0.804 nan 8.240 nan 0.000 0.508 395 Y N -1.556 118.736 120.300 -0.013 0.000 2.669 395 Y HA 0.802 5.352 4.550 0.000 0.000 0.335 395 Y C -0.867 175.028 175.900 -0.008 0.000 1.116 395 Y CA -1.345 56.751 58.100 -0.007 0.000 1.081 395 Y CB 0.875 39.339 38.460 0.007 0.000 1.297 395 Y HN 0.640 nan 8.280 nan 0.000 0.484 396 T N 4.089 118.632 114.554 -0.018 0.000 2.801 396 T HA 0.420 4.770 4.350 0.000 0.000 0.306 396 T C -2.808 171.885 174.700 -0.013 0.000 1.020 396 T CA -1.361 60.674 62.100 -0.109 0.000 0.948 396 T CB 0.742 69.592 68.868 -0.029 0.000 0.962 396 T HN 0.363 nan 8.240 nan 0.000 0.465 397 P HA 0.262 nan 4.420 nan 0.000 0.272 397 P C 1.217 178.548 177.300 0.051 0.000 1.223 397 P CA 0.431 63.576 63.100 0.075 0.000 0.784 397 P CB 0.422 32.122 31.700 0.001 0.000 0.923 398 G N 1.054 109.901 108.800 0.078 0.000 2.270 398 G HA2 -0.303 3.658 3.960 0.000 0.000 0.268 398 G HA3 -0.303 3.658 3.960 0.000 0.000 0.268 398 G C 0.539 175.452 174.900 0.022 0.000 0.982 398 G CA 0.298 45.423 45.100 0.041 0.000 0.628 398 G HN 0.896 nan 8.290 nan 0.000 0.544 399 A N 0.512 123.347 122.820 0.025 0.000 2.546 399 A HA 0.559 4.879 4.320 0.000 0.000 0.243 399 A C 1.658 179.238 177.584 -0.007 0.000 1.063 399 A CA 1.397 53.438 52.037 0.007 0.000 0.757 399 A CB 0.244 19.251 19.000 0.011 0.000 0.991 399 A HN 1.704 nan 8.150 nan 0.000 0.503 400 S N 0.984 116.674 115.700 -0.017 0.000 2.528 400 S HA -0.081 4.389 4.470 0.000 0.000 0.219 400 S C 1.347 175.919 174.600 -0.046 0.000 0.985 400 S CA 0.934 59.116 58.200 -0.029 0.000 0.914 400 S CB -0.574 62.613 63.200 -0.023 0.000 0.776 400 S HN 1.180 nan 8.310 nan 0.000 0.526 401 T N -0.312 114.216 114.554 -0.042 0.000 3.148 401 T HA 0.180 4.530 4.350 0.000 0.000 0.253 401 T C 0.318 174.971 174.700 -0.079 0.000 1.134 401 T CA -0.394 61.672 62.100 -0.056 0.000 1.051 401 T CB -0.652 68.191 68.868 -0.042 0.000 0.959 401 T HN 0.157 nan 8.240 nan 0.000 0.525 402 N N 2.485 121.139 118.700 -0.078 0.000 2.497 402 N HA 0.186 4.926 4.740 0.000 0.000 0.268 402 N C 0.965 176.343 175.510 -0.221 0.000 1.171 402 N CA -0.334 52.648 53.050 -0.114 0.000 0.948 402 N CB 1.156 39.603 38.487 -0.068 0.000 1.069 402 N HN 0.192 nan 8.380 nan 0.000 0.460 403 K N 1.338 121.522 120.400 -0.361 0.000 2.432 403 K HA 0.026 4.346 4.320 0.000 0.000 0.196 403 K C 0.064 176.142 176.600 -0.870 0.000 1.038 403 K CA 0.833 56.763 56.287 -0.595 0.000 0.986 403 K CB 0.044 32.096 32.500 -0.747 0.000 0.782 403 K HN 0.570 nan 8.250 nan 0.000 0.485 404 H N -0.162 118.636 119.070 -0.453 0.000 2.894 404 H HA 0.340 4.896 4.556 0.000 0.000 0.368 404 H C -2.390 172.636 175.328 -0.503 0.000 1.181 404 H CA -2.201 53.429 56.048 -0.697 0.000 1.146 404 H CB 1.761 30.789 29.762 -1.224 0.000 1.839 404 H HN -0.153 nan 8.280 nan 0.000 0.557 405 P HA 0.070 nan 4.420 nan 0.000 0.276 405 P C 0.161 177.264 177.300 -0.329 0.000 1.261 405 P CA -0.284 62.625 63.100 -0.319 0.000 0.800 405 P CB 1.394 32.868 31.700 -0.376 0.000 1.066 406 D N -0.212 120.120 120.400 -0.114 0.000 2.178 406 D HA -0.103 4.537 4.640 0.000 0.000 0.202 406 D C 1.859 178.177 176.300 0.030 0.000 0.974 406 D CA 1.157 55.169 54.000 0.020 0.000 0.841 406 D CB -0.479 40.434 40.800 0.187 0.000 0.953 406 D HN 0.600 nan 8.370 nan 0.000 0.478 407 W N 0.104 121.477 121.300 0.122 0.000 2.392 407 W HA -0.111 4.549 4.660 0.000 0.000 0.279 407 W C 1.787 178.383 176.519 0.128 0.000 1.225 407 W CA 0.088 57.501 57.345 0.113 0.000 1.233 407 W CB -1.211 28.310 29.460 0.101 0.000 1.122 407 W HN 0.063 nan 8.180 nan 0.000 0.561 408 W N 3.325 124.167 121.300 -0.764 0.000 2.480 408 W HA -0.063 4.597 4.660 0.000 0.000 0.299 408 W C 1.795 178.041 176.519 -0.456 0.000 1.187 408 W CA 1.202 58.084 57.345 -0.771 0.000 1.347 408 W CB -0.993 27.731 29.460 -1.227 0.000 1.121 408 W HN -0.172 nan 8.180 nan 0.000 0.533 409 N N 1.220 119.853 118.700 -0.111 0.000 2.166 409 N HA -0.194 4.546 4.740 0.000 0.000 0.186 409 N C 1.470 176.716 175.510 -0.441 0.000 1.019 409 N CA 1.808 54.604 53.050 -0.424 0.000 0.856 409 N CB -0.573 37.297 38.487 -1.028 0.000 0.993 409 N HN 0.186 nan 8.380 nan 0.000 0.426 410 E N 1.571 121.647 120.200 -0.207 0.000 2.085 410 E HA -0.099 4.251 4.350 0.000 0.000 0.194 410 E C 1.643 178.286 176.600 0.073 0.000 0.994 410 E CA 1.359 57.806 56.400 0.078 0.000 0.801 410 E CB 0.042 29.854 29.700 0.186 0.000 0.743 410 E HN 0.276 nan 8.360 nan 0.000 0.453 411 K N -0.498 119.929 120.400 0.045 0.000 2.057 411 K HA -0.083 4.237 4.320 0.000 0.000 0.206 411 K C 2.145 178.746 176.600 0.001 0.000 1.050 411 K CA 1.371 57.676 56.287 0.030 0.000 0.935 411 K CB -0.152 32.349 32.500 0.002 0.000 0.715 411 K HN 0.047 nan 8.250 nan 0.000 0.439 412 V N 2.104 121.978 119.914 -0.067 0.000 2.307 412 V HA -0.247 3.873 4.120 0.000 0.000 0.245 412 V C 2.432 178.559 176.094 0.056 0.000 1.045 412 V CA 1.639 63.915 62.300 -0.039 0.000 1.024 412 V CB -0.417 31.365 31.823 -0.068 0.000 0.651 412 V HN 0.344 nan 8.190 nan 0.000 0.449 413 K N 0.234 120.664 120.400 0.049 0.000 2.026 413 K HA -0.229 4.091 4.320 0.000 0.000 0.208 413 K C 2.051 178.712 176.600 0.102 0.000 1.048 413 K CA 1.920 58.269 56.287 0.102 0.000 0.929 413 K CB -0.246 32.371 32.500 0.195 0.000 0.713 413 K HN 0.409 nan 8.250 nan 0.000 0.439 414 N N 0.504 119.268 118.700 0.107 0.000 2.120 414 N HA -0.189 4.551 4.740 0.000 0.000 0.188 414 N C 1.784 177.350 175.510 0.094 0.000 1.024 414 N CA 1.411 54.517 53.050 0.094 0.000 0.852 414 N CB -0.726 37.823 38.487 0.103 0.000 1.003 414 N HN 0.408 nan 8.380 nan 0.000 0.424 415 H N 0.832 119.933 119.070 0.053 0.000 2.289 415 H HA 0.020 4.576 4.556 0.000 0.000 0.296 415 H C 2.062 177.444 175.328 0.089 0.000 1.091 415 H CA 2.023 58.114 56.048 0.071 0.000 1.274 415 H CB -0.200 29.518 29.762 -0.073 0.000 1.364 415 H HN 0.128 nan 8.280 nan 0.000 0.490 416 M N -1.198 118.393 119.600 -0.016 0.000 2.229 416 M HA -0.115 4.365 4.480 0.000 0.000 0.264 416 M C 2.160 178.522 176.300 0.103 0.000 1.063 416 M CA 1.423 56.738 55.300 0.025 0.000 1.114 416 M CB -0.049 32.637 32.600 0.143 0.000 1.387 416 M HN 0.359 nan 8.290 nan 0.000 0.420 417 M N 0.221 119.865 119.600 0.073 0.000 2.334 417 M HA -0.090 4.390 4.480 0.000 0.000 0.266 417 M C 1.775 178.066 176.300 -0.016 0.000 1.082 417 M CA 1.828 57.182 55.300 0.090 0.000 1.141 417 M CB 0.000 32.633 32.600 0.055 0.000 1.380 417 M HN 0.129 nan 8.290 nan 0.000 0.440 418 Q N -1.245 118.474 119.800 -0.135 0.000 2.398 418 Q HA 0.035 4.376 4.340 0.000 0.000 0.204 418 Q C -0.142 175.505 176.000 -0.588 0.000 0.932 418 Q CA 0.668 56.271 55.803 -0.334 0.000 0.916 418 Q CB 0.350 28.833 28.738 -0.425 0.000 1.024 418 Q HN 0.499 nan 8.270 nan 0.000 0.504 419 H N 0.135 119.114 119.070 -0.153 0.000 2.379 419 H HA 0.183 4.739 4.556 0.000 0.000 0.229 419 H C 0.069 175.297 175.328 -0.167 0.000 1.423 419 H CA -0.103 55.862 56.048 -0.138 0.000 1.375 419 H CB 0.489 30.139 29.762 -0.187 0.000 1.592 419 H HN 0.260 nan 8.280 nan 0.000 0.507 420 Q N 0.659 120.415 119.800 -0.073 0.000 2.364 420 Q HA -0.132 4.208 4.340 0.000 0.000 0.209 420 Q C 1.882 177.792 176.000 -0.150 0.000 0.977 420 Q CA 1.034 56.731 55.803 -0.176 0.000 0.885 420 Q CB 0.365 28.941 28.738 -0.270 0.000 0.941 420 Q HN 0.515 nan 8.270 nan 0.000 0.464 421 E N 1.447 121.623 120.200 -0.040 0.000 2.427 421 E HA -0.109 4.241 4.350 0.000 0.000 0.196 421 E C -0.453 176.169 176.600 0.038 0.000 1.028 421 E CA 0.512 56.909 56.400 -0.005 0.000 0.864 421 E CB 0.080 29.801 29.700 0.036 0.000 0.813 421 E HN 0.156 nan 8.360 nan 0.000 0.514 422 D N 1.998 122.436 120.400 0.064 0.000 2.274 422 D HA 0.135 4.775 4.640 0.000 0.000 0.239 422 D C -1.526 174.815 176.300 0.069 0.000 1.104 422 D CA -2.164 51.905 54.000 0.115 0.000 0.840 422 D CB 1.606 42.506 40.800 0.166 0.000 1.100 422 D HN -0.140 nan 8.370 nan 0.000 0.477 423 P HA 0.044 nan 4.420 nan 0.000 0.241 423 P C -0.106 177.226 177.300 0.054 0.000 1.191 423 P CA 0.258 63.387 63.100 0.048 0.000 0.771 423 P CB 0.440 32.162 31.700 0.037 0.000 0.929 424 L N 1.909 123.170 121.223 0.063 0.000 2.325 424 L HA 0.345 4.685 4.340 0.000 0.000 0.278 424 L C -1.374 175.515 176.870 0.032 0.000 1.023 424 L CA -2.195 52.657 54.840 0.021 0.000 0.811 424 L CB 2.460 44.501 42.059 -0.029 0.000 1.249 424 L HN -0.265 nan 8.230 nan 0.000 0.431 425 P HA 0.113 nan 4.420 nan 0.000 0.255 425 P C 0.167 177.338 177.300 -0.215 0.000 1.248 425 P CA 0.374 63.476 63.100 0.003 0.000 0.807 425 P CB 0.406 32.111 31.700 0.010 0.000 1.150 426 I N 2.383 122.740 120.570 -0.356 0.000 2.371 426 I HA 0.220 4.390 4.170 0.000 0.000 0.290 426 I C -2.109 173.521 176.117 -0.813 0.000 1.028 426 I CA -2.756 58.275 61.300 -0.448 0.000 1.345 426 I CB 0.733 38.555 38.000 -0.297 0.000 1.407 426 I HN -0.227 nan 8.210 nan 0.000 0.501 427 P HA 0.000 nan 4.420 nan 0.000 0.267 427 P C 0.306 177.337 177.300 -0.448 0.000 1.200 427 P CA 0.010 62.694 63.100 -0.694 0.000 0.772 427 P CB 0.365 31.920 31.700 -0.241 0.000 0.855 428 F N 0.648 120.459 119.950 -0.232 0.000 2.161 428 F HA -0.127 4.400 4.527 0.000 0.000 0.300 428 F C 1.731 177.485 175.800 -0.077 0.000 1.089 428 F CA 1.654 59.574 58.000 -0.132 0.000 1.282 428 F CB -0.929 38.011 39.000 -0.100 0.000 1.010 428 F HN 0.407 nan 8.300 nan 0.000 0.485 429 E N -0.414 119.865 120.200 0.131 0.000 2.419 429 E HA -0.000 4.350 4.350 0.000 0.000 0.190 429 E C -0.282 176.337 176.600 0.032 0.000 1.040 429 E CA -0.258 56.191 56.400 0.080 0.000 0.900 429 E CB -0.213 29.535 29.700 0.080 0.000 1.054 429 E HN 0.147 nan 8.360 nan 0.000 0.462 430 D N 2.355 122.750 120.400 -0.009 0.000 2.450 430 D HA 0.011 4.651 4.640 0.000 0.000 0.247 430 D C -2.224 174.091 176.300 0.025 0.000 1.162 430 D CA -1.610 52.372 54.000 -0.030 0.000 0.879 430 D CB 0.761 41.501 40.800 -0.099 0.000 1.163 430 D HN -0.103 nan 8.370 nan 0.000 0.472 431 P HA 0.058 nan 4.420 nan 0.000 0.271 431 P C -0.290 177.125 177.300 0.192 0.000 1.233 431 P CA -0.352 62.841 63.100 0.154 0.000 0.789 431 P CB 0.327 32.133 31.700 0.177 0.000 0.951 432 E N 1.856 122.185 120.200 0.215 0.000 2.408 432 E HA 0.124 4.474 4.350 0.000 0.000 0.259 432 E C -2.429 174.211 176.600 0.066 0.000 1.110 432 E CA -1.754 54.707 56.400 0.101 0.000 0.929 432 E CB -0.996 28.725 29.700 0.036 0.000 0.971 432 E HN 0.236 nan 8.360 nan 0.000 0.438 433 P HA 0.060 nan 4.420 nan 0.000 0.271 433 P C -0.510 176.783 177.300 -0.011 0.000 1.218 433 P CA 0.055 63.219 63.100 0.106 0.000 0.780 433 P CB 0.396 32.111 31.700 0.025 0.000 0.901 434 Q N 1.154 121.028 119.800 0.125 0.000 3.230 434 Q HA 0.315 4.655 4.340 0.000 0.000 0.303 434 Q C -0.968 175.113 176.000 0.135 0.000 0.884 434 Q CA -0.334 55.429 55.803 -0.065 0.000 0.859 434 Q CB 1.114 29.547 28.738 -0.508 0.000 1.432 434 Q HN 0.189 nan 8.270 nan 0.000 0.403 435 V N 0.496 120.450 119.914 0.066 0.000 2.667 435 V HA 0.720 4.840 4.120 0.000 0.000 0.308 435 V C 0.141 176.247 176.094 0.019 0.000 1.048 435 V CA -0.384 61.957 62.300 0.067 0.000 0.928 435 V CB 2.095 33.897 31.823 -0.035 0.000 1.004 435 V HN 0.422 nan 8.190 nan 0.000 0.444 436 T N 1.675 116.271 114.554 0.069 0.000 2.900 436 T HA 0.474 4.824 4.350 0.000 0.000 0.303 436 T C -0.933 173.718 174.700 -0.082 0.000 1.142 436 T CA -0.318 61.767 62.100 -0.025 0.000 1.007 436 T CB 1.851 70.689 68.868 -0.050 0.000 1.156 436 T HN 0.819 nan 8.240 nan 0.000 0.490 437 T N 4.404 118.772 114.554 -0.310 0.000 2.770 437 T HA 0.621 4.971 4.350 0.000 0.000 0.283 437 T C -0.155 174.400 174.700 -0.241 0.000 0.988 437 T CA -0.592 61.162 62.100 -0.577 0.000 0.957 437 T CB -0.131 67.983 68.868 -1.257 0.000 0.930 437 T HN 0.506 nan 8.240 nan 0.000 0.443 438 L N 4.606 125.762 121.223 -0.113 0.000 2.452 438 L HA 0.403 4.743 4.340 0.000 0.000 0.267 438 L C 0.691 177.552 176.870 -0.016 0.000 1.188 438 L CA -0.925 53.932 54.840 0.028 0.000 0.821 438 L CB 0.189 42.270 42.059 0.037 0.000 1.102 438 L HN 0.627 nan 8.230 nan 0.000 0.470 439 F N 3.066 122.936 119.950 -0.134 0.000 2.537 439 F HA -0.117 4.410 4.527 0.000 0.000 0.402 439 F C 0.271 175.811 175.800 -0.433 0.000 1.005 439 F CA 0.707 58.535 58.000 -0.287 0.000 1.203 439 F CB 0.090 38.983 39.000 -0.177 0.000 0.955 439 F HN 0.406 nan 8.300 nan 0.000 0.547 440 Q N 6.732 125.999 119.800 -0.889 0.000 2.456 440 Q HA 0.253 4.594 4.340 0.000 0.000 0.284 440 Q C -2.005 173.545 176.000 -0.749 0.000 1.061 440 Q CA -1.792 53.608 55.803 -0.672 0.000 0.799 440 Q CB 1.439 29.687 28.738 -0.817 0.000 1.445 440 Q HN 0.237 nan 8.270 nan 0.000 0.411 441 P HA -0.212 nan 4.420 nan 0.000 0.216 441 P C 1.223 178.318 177.300 -0.343 0.000 1.154 441 P CA 2.089 65.024 63.100 -0.274 0.000 0.865 441 P CB 0.190 31.819 31.700 -0.118 0.000 0.789 442 S N -1.406 114.102 115.700 -0.319 0.000 2.603 442 S HA -0.091 4.379 4.470 0.000 0.000 0.220 442 S C 0.455 174.884 174.600 -0.285 0.000 0.967 442 S CA 0.001 58.075 58.200 -0.211 0.000 0.920 442 S CB -1.290 61.878 63.200 -0.052 0.000 0.773 442 S HN 0.440 nan 8.310 nan 0.000 0.529 443 H N -1.339 117.294 119.070 -0.730 0.000 2.643 443 H HA 0.452 5.008 4.556 0.000 0.000 0.229 443 H C -3.214 170.975 175.328 -1.899 0.000 1.410 443 H CA -1.621 53.602 56.048 -1.375 0.000 1.458 443 H CB 0.409 29.620 29.762 -0.917 0.000 1.792 443 H HN 0.075 nan 8.280 nan 0.000 0.563 444 P HA 0.086 nan 4.420 nan 0.000 0.226 444 P C -1.243 175.444 177.300 -1.022 0.000 1.783 444 P CA 0.206 62.241 63.100 -1.775 0.000 0.980 444 P CB -1.046 30.137 31.700 -0.862 0.000 1.967 445 W N -0.205 120.764 121.300 -0.552 0.000 3.213 445 W HA 0.511 5.171 4.660 0.000 0.000 0.318 445 W C -0.893 175.699 176.519 0.122 0.000 1.248 445 W CA -1.291 56.052 57.345 -0.004 0.000 1.187 445 W CB 0.083 29.582 29.460 0.064 0.000 1.403 445 W HN 0.001 nan 8.180 nan 0.000 0.556 446 H N 1.257 120.603 119.070 0.460 0.000 2.562 446 H HA 0.655 5.211 4.556 0.000 0.000 0.352 446 H C -0.097 175.400 175.328 0.283 0.000 1.125 446 H CA 0.593 56.823 56.048 0.303 0.000 1.379 446 H CB 1.372 31.276 29.762 0.237 0.000 1.464 446 H HN 0.579 nan 8.280 nan 0.000 0.563 447 T N 2.164 116.373 114.554 -0.576 0.000 2.900 447 T HA 0.518 4.868 4.350 0.000 0.000 0.295 447 T C -0.788 173.643 174.700 -0.448 0.000 1.044 447 T CA -1.106 60.693 62.100 -0.503 0.000 0.995 447 T CB 1.673 70.113 68.868 -0.713 0.000 1.072 447 T HN 0.672 nan 8.240 nan 0.000 0.473 448 Q N 1.751 121.476 119.800 -0.125 0.000 2.263 448 Q HA 0.531 4.871 4.340 0.000 0.000 0.266 448 Q C -1.284 174.608 176.000 -0.180 0.000 1.002 448 Q CA -0.544 55.107 55.803 -0.253 0.000 0.790 448 Q CB 2.425 30.924 28.738 -0.399 0.000 1.272 448 Q HN 0.727 nan 8.270 nan 0.000 0.435 449 I N 3.767 124.191 120.570 -0.245 0.000 2.537 449 I HA 0.370 4.540 4.170 0.000 0.000 0.276 449 I C -0.338 175.670 176.117 -0.182 0.000 1.063 449 I CA -0.268 60.770 61.300 -0.436 0.000 1.144 449 I CB 0.346 37.939 38.000 -0.677 0.000 1.252 449 I HN 0.728 nan 8.210 nan 0.000 0.480 450 H N 3.583 122.488 119.070 -0.275 0.000 3.001 450 H HA 0.664 5.220 4.556 0.000 0.000 0.266 450 H C -1.198 174.062 175.328 -0.113 0.000 1.532 450 H CA -1.359 54.587 56.048 -0.169 0.000 1.187 450 H CB 1.427 31.110 29.762 -0.132 0.000 1.881 450 H HN 0.107 nan 8.280 nan 0.000 0.643 451 R N 1.173 121.475 120.500 -0.329 0.000 2.628 451 R HA 0.285 4.625 4.340 0.000 0.000 0.288 451 R C -1.390 174.596 176.300 -0.523 0.000 0.980 451 R CA -0.546 55.339 56.100 -0.358 0.000 0.891 451 R CB 1.913 32.150 30.300 -0.105 0.000 1.188 451 R HN 0.931 nan 8.270 nan 0.000 0.450 452 D N 0.195 120.336 120.400 -0.431 0.000 2.732 452 D HA 0.358 4.998 4.640 0.000 0.000 0.292 452 D C -0.698 175.566 176.300 -0.060 0.000 1.135 452 D CA -0.798 53.046 54.000 -0.261 0.000 1.071 452 D CB 0.456 41.116 40.800 -0.233 0.000 1.457 452 D HN 0.369 nan 8.370 nan 0.000 0.547 453 A N -0.088 122.725 122.820 -0.012 0.000 2.540 453 A HA 0.369 4.689 4.320 0.000 0.000 0.264 453 A C -0.782 176.824 177.584 0.036 0.000 1.080 453 A CA 0.213 52.281 52.037 0.051 0.000 0.776 453 A CB -1.264 17.814 19.000 0.129 0.000 1.011 453 A HN 0.441 nan 8.150 nan 0.000 0.514 454 F N 2.286 122.117 119.950 -0.197 0.000 2.599 454 F HA 0.538 5.065 4.527 0.000 0.000 0.311 454 F C 0.244 175.752 175.800 -0.485 0.000 1.076 454 F CA -0.438 57.345 58.000 -0.363 0.000 0.937 454 F CB 1.983 40.719 39.000 -0.441 0.000 1.282 454 F HN 0.372 nan 8.300 nan 0.000 0.460 455 S N 4.144 119.146 115.700 -1.163 0.000 2.399 455 S HA 0.370 4.840 4.470 0.000 0.000 0.301 455 S C -1.343 172.995 174.600 -0.436 0.000 1.093 455 S CA -0.259 57.529 58.200 -0.686 0.000 1.077 455 S CB -0.311 62.546 63.200 -0.571 0.000 0.980 455 S HN 0.446 nan 8.310 nan 0.000 0.494 456 Y N 3.867 124.221 120.300 0.090 0.000 2.477 456 Y HA 0.392 4.942 4.550 0.000 0.000 0.349 456 Y C 1.395 177.357 175.900 0.103 0.000 0.977 456 Y CA -0.488 57.732 58.100 0.200 0.000 1.214 456 Y CB 0.307 38.886 38.460 0.197 0.000 1.124 456 Y HN 0.798 nan 8.280 nan 0.000 0.521 457 G N 1.589 110.553 108.800 0.273 0.000 2.846 457 G HA2 0.138 4.098 3.960 0.000 0.000 0.257 457 G HA3 0.138 4.098 3.960 0.000 0.000 0.257 457 G C 1.019 176.012 174.900 0.156 0.000 1.253 457 G CA 0.001 45.201 45.100 0.166 0.000 0.918 457 G HN 0.855 nan 8.290 nan 0.000 0.597 458 A N -0.784 122.096 122.820 0.100 0.000 2.259 458 A HA 0.202 4.522 4.320 0.000 0.000 0.212 458 A C 1.912 179.536 177.584 0.067 0.000 1.178 458 A CA 1.658 53.739 52.037 0.074 0.000 0.734 458 A CB -0.113 18.918 19.000 0.051 0.000 0.774 458 A HN 0.515 nan 8.150 nan 0.000 0.481 459 V N -2.303 117.663 119.914 0.086 0.000 3.054 459 V HA -0.069 4.051 4.120 0.000 0.000 0.227 459 V C 2.164 178.289 176.094 0.052 0.000 1.252 459 V CA 1.010 63.349 62.300 0.065 0.000 1.279 459 V CB -0.311 31.558 31.823 0.078 0.000 1.118 459 V HN 0.420 nan 8.190 nan 0.000 0.504 460 Q N 0.461 120.329 119.800 0.113 0.000 2.224 460 Q HA -0.331 4.009 4.340 0.000 0.000 0.213 460 Q C 2.031 177.951 176.000 -0.133 0.000 0.998 460 Q CA 2.395 58.218 55.803 0.032 0.000 0.895 460 Q CB -0.385 28.649 28.738 0.494 0.000 0.926 460 Q HN 0.643 nan 8.270 nan 0.000 0.417 461 Q N -1.097 118.706 119.800 0.006 0.000 2.230 461 Q HA -0.044 4.296 4.340 0.000 0.000 0.202 461 Q C 2.039 178.027 176.000 -0.021 0.000 0.963 461 Q CA 1.080 56.881 55.803 -0.004 0.000 0.866 461 Q CB -0.045 28.725 28.738 0.053 0.000 0.931 461 Q HN 0.277 nan 8.270 nan 0.000 0.452 462 S N -0.348 115.345 115.700 -0.011 0.000 2.428 462 S HA 0.006 4.476 4.470 0.000 0.000 0.230 462 S C 0.709 175.295 174.600 -0.025 0.000 1.014 462 S CA 0.246 58.440 58.200 -0.009 0.000 0.957 462 S CB 0.258 63.461 63.200 0.004 0.000 0.784 462 S HN 0.143 nan 8.310 nan 0.000 0.499 463 I N 2.697 123.236 120.570 -0.052 0.000 2.365 463 I HA 0.238 4.408 4.170 0.000 0.000 0.291 463 I C 0.284 176.355 176.117 -0.076 0.000 1.004 463 I CA -0.698 60.568 61.300 -0.057 0.000 1.311 463 I CB 0.827 38.787 38.000 -0.067 0.000 1.401 463 I HN 0.154 nan 8.210 nan 0.000 0.491 464 D N 4.410 124.786 120.400 -0.041 0.000 2.472 464 D HA -0.072 4.568 4.640 0.000 0.000 0.248 464 D C 1.257 177.526 176.300 -0.052 0.000 1.174 464 D CA 0.203 54.187 54.000 -0.027 0.000 0.883 464 D CB 1.099 41.904 40.800 0.008 0.000 1.149 464 D HN 0.667 nan 8.370 nan 0.000 0.488 465 S N 4.256 119.920 115.700 -0.060 0.000 2.442 465 S HA -0.181 4.289 4.470 0.000 0.000 0.236 465 S C 1.652 176.232 174.600 -0.033 0.000 1.007 465 S CA 0.511 58.662 58.200 -0.081 0.000 0.965 465 S CB -0.052 63.113 63.200 -0.058 0.000 0.773 465 S HN 0.557 nan 8.310 nan 0.000 0.504 466 R N 0.799 121.291 120.500 -0.012 0.000 2.200 466 R HA 0.119 4.459 4.340 0.000 0.000 0.234 466 R C 1.742 178.027 176.300 -0.025 0.000 1.127 466 R CA 1.256 57.345 56.100 -0.019 0.000 0.989 466 R CB -0.586 29.692 30.300 -0.038 0.000 0.869 466 R HN 0.453 nan 8.270 nan 0.000 0.459 467 L N 0.376 121.584 121.223 -0.025 0.000 2.509 467 L HA 0.143 4.483 4.340 0.000 0.000 0.222 467 L C 0.607 177.474 176.870 -0.007 0.000 1.123 467 L CA 0.082 54.912 54.840 -0.017 0.000 0.856 467 L CB 0.138 42.185 42.059 -0.020 0.000 0.985 467 L HN 0.064 nan 8.230 nan 0.000 0.456 468 I N 0.396 120.956 120.570 -0.016 0.000 2.331 468 I HA 0.231 4.401 4.170 0.000 0.000 0.292 468 I C -0.575 175.553 176.117 0.017 0.000 0.998 468 I CA -0.387 60.912 61.300 -0.003 0.000 1.267 468 I CB 1.628 39.600 38.000 -0.047 0.000 1.386 468 I HN -0.283 nan 8.210 nan 0.000 0.476 469 V N 5.016 124.959 119.914 0.048 0.000 2.656 469 V HA 0.332 4.453 4.120 0.000 0.000 0.307 469 V C -0.713 175.386 176.094 0.009 0.000 1.051 469 V CA -0.838 61.460 62.300 -0.003 0.000 0.893 469 V CB 2.141 33.953 31.823 -0.019 0.000 0.999 469 V HN 0.577 nan 8.190 nan 0.000 0.426 470 D N 2.695 123.044 120.400 -0.086 0.000 2.210 470 D HA 0.453 5.093 4.640 0.000 0.000 0.249 470 D C -1.002 175.237 176.300 -0.101 0.000 1.078 470 D CA 0.089 54.066 54.000 -0.039 0.000 0.875 470 D CB 1.321 42.150 40.800 0.048 0.000 1.175 470 D HN 0.442 nan 8.370 nan 0.000 0.440 471 W N 1.591 122.826 121.300 -0.108 0.000 2.538 471 W HA 0.454 5.114 4.660 0.000 0.000 0.322 471 W C 0.285 176.804 176.519 -0.000 0.000 1.028 471 W CA -0.864 56.468 57.345 -0.022 0.000 1.228 471 W CB 1.320 30.671 29.460 -0.181 0.000 1.356 471 W HN -0.076 nan 8.180 nan 0.000 0.452 472 R N 3.145 123.850 120.500 0.342 0.000 2.473 472 R HA 0.448 4.788 4.340 0.000 0.000 0.303 472 R C -1.577 174.887 176.300 0.274 0.000 1.002 472 R CA -0.835 55.361 56.100 0.160 0.000 0.884 472 R CB 1.430 31.782 30.300 0.086 0.000 1.173 472 R HN 0.196 nan 8.270 nan 0.000 0.464 473 F N 3.079 122.884 119.950 -0.241 0.000 2.458 473 F HA 0.504 5.031 4.527 0.000 0.000 0.336 473 F C -0.265 175.422 175.800 -0.187 0.000 1.114 473 F CA -1.444 56.504 58.000 -0.087 0.000 0.987 473 F CB 1.060 39.974 39.000 -0.143 0.000 1.130 473 F HN 0.283 nan 8.300 nan 0.000 0.458 474 F N 1.287 121.443 119.950 0.343 0.000 2.449 474 F HA 0.668 5.195 4.527 0.000 0.000 0.342 474 F C 0.605 176.626 175.800 0.368 0.000 1.127 474 F CA -1.144 57.054 58.000 0.330 0.000 0.975 474 F CB 1.534 40.772 39.000 0.396 0.000 1.146 474 F HN 0.514 nan 8.300 nan 0.000 0.444 475 G N 1.968 111.035 108.800 0.446 0.000 2.434 475 G HA2 0.634 4.594 3.960 0.000 0.000 0.330 475 G HA3 0.634 4.594 3.960 0.000 0.000 0.330 475 G C -0.921 174.187 174.900 0.346 0.000 1.155 475 G CA -1.107 44.238 45.100 0.409 0.000 0.917 475 G HN 0.722 nan 8.290 nan 0.000 0.493 476 R N -0.664 120.034 120.500 0.329 0.000 2.404 476 R HA 0.634 4.974 4.340 0.000 0.000 0.291 476 R C -1.008 175.401 176.300 0.182 0.000 1.025 476 R CA -0.476 55.741 56.100 0.194 0.000 0.991 476 R CB 1.124 31.550 30.300 0.210 0.000 1.053 476 R HN 0.257 nan 8.270 nan 0.000 0.479 477 T N 2.155 116.781 114.554 0.119 0.000 2.809 477 T HA 0.115 4.465 4.350 0.000 0.000 0.284 477 T C -0.738 174.041 174.700 0.132 0.000 0.992 477 T CA -0.648 61.571 62.100 0.198 0.000 0.957 477 T CB 1.319 70.380 68.868 0.322 0.000 0.942 477 T HN 0.686 nan 8.240 nan 0.000 0.439 478 E N 4.690 124.974 120.200 0.140 0.000 2.415 478 E HA 0.103 4.453 4.350 0.000 0.000 0.263 478 E C -2.162 174.517 176.600 0.131 0.000 0.995 478 E CA -1.560 54.911 56.400 0.118 0.000 0.915 478 E CB 0.507 30.270 29.700 0.106 0.000 0.951 478 E HN 0.188 nan 8.360 nan 0.000 0.449 479 P HA 0.139 nan 4.420 nan 0.000 0.276 479 P C -1.259 176.193 177.300 0.252 0.000 1.235 479 P CA -0.015 63.220 63.100 0.224 0.000 0.772 479 P CB 0.708 32.556 31.700 0.247 0.000 0.871 480 K N 2.551 123.059 120.400 0.181 0.000 2.507 480 K HA 0.142 4.462 4.320 0.000 0.000 0.251 480 K C 0.897 177.382 176.600 -0.190 0.000 0.943 480 K CA -0.613 55.706 56.287 0.053 0.000 0.794 480 K CB 2.225 34.711 32.500 -0.024 0.000 1.188 480 K HN 0.483 nan 8.250 nan 0.000 0.428 481 E N 2.340 122.283 120.200 -0.428 0.000 2.171 481 E HA -0.236 4.114 4.350 0.000 0.000 0.197 481 E C 0.891 177.229 176.600 -0.436 0.000 0.997 481 E CA 1.679 57.514 56.400 -0.941 0.000 0.810 481 E CB 0.505 29.884 29.700 -0.536 0.000 0.738 481 E HN 0.525 nan 8.360 nan 0.000 0.467 482 E N 0.337 120.398 120.200 -0.232 0.000 2.347 482 E HA -0.098 4.252 4.350 0.000 0.000 0.196 482 E C 0.012 176.555 176.600 -0.095 0.000 1.008 482 E CA 0.241 56.559 56.400 -0.137 0.000 0.852 482 E CB -0.318 29.319 29.700 -0.105 0.000 0.783 482 E HN 0.092 nan 8.360 nan 0.000 0.505 483 N N 2.141 120.781 118.700 -0.099 0.000 2.401 483 N HA 0.161 4.901 4.740 0.000 0.000 0.255 483 N C -0.689 174.884 175.510 0.105 0.000 1.110 483 N CA 0.198 53.254 53.050 0.009 0.000 0.949 483 N CB 0.955 39.451 38.487 0.015 0.000 1.110 483 N HN 0.117 nan 8.380 nan 0.000 0.490 484 K N 1.073 121.582 120.400 0.181 0.000 2.385 484 K HA 0.512 4.832 4.320 0.000 0.000 0.248 484 K C -1.074 175.674 176.600 0.247 0.000 0.955 484 K CA -0.935 55.474 56.287 0.204 0.000 0.816 484 K CB 2.322 34.947 32.500 0.209 0.000 1.250 484 K HN 0.179 nan 8.250 nan 0.000 0.434 485 L N 3.530 124.840 121.223 0.146 0.000 2.319 485 L HA 0.575 4.915 4.340 0.000 0.000 0.281 485 L C -1.403 175.402 176.870 -0.109 0.000 1.005 485 L CA -0.096 54.661 54.840 -0.137 0.000 0.828 485 L CB 0.644 42.619 42.059 -0.140 0.000 1.227 485 L HN 0.704 nan 8.230 nan 0.000 0.415 486 W N 3.527 124.543 121.300 -0.473 0.000 3.017 486 W HA 0.648 5.309 4.660 0.000 0.000 0.341 486 W C -2.138 173.928 176.519 -0.756 0.000 1.180 486 W CA -1.253 55.862 57.345 -0.383 0.000 1.097 486 W CB 0.853 30.243 29.460 -0.117 0.000 1.468 486 W HN 0.334 nan 8.180 nan 0.000 0.584 487 F N 1.539 121.639 119.950 0.249 0.000 2.507 487 F HA 0.341 4.868 4.527 0.000 0.000 0.325 487 F C 0.787 176.726 175.800 0.231 0.000 1.116 487 F CA -0.943 57.100 58.000 0.072 0.000 0.930 487 F CB 2.060 41.095 39.000 0.059 0.000 1.146 487 F HN 0.248 nan 8.300 nan 0.000 0.447 488 S N 1.191 117.007 115.700 0.193 0.000 2.549 488 S HA 0.058 4.528 4.470 0.000 0.000 0.283 488 S C 0.732 175.467 174.600 0.226 0.000 1.320 488 S CA -0.602 57.746 58.200 0.247 0.000 1.058 488 S CB 0.314 63.568 63.200 0.089 0.000 0.882 488 S HN 0.674 nan 8.310 nan 0.000 0.498 489 D N 3.179 123.708 120.400 0.215 0.000 2.340 489 D HA 0.095 4.735 4.640 0.000 0.000 0.220 489 D C 0.909 177.267 176.300 0.097 0.000 1.039 489 D CA 0.395 54.476 54.000 0.136 0.000 0.866 489 D CB 0.168 41.032 40.800 0.108 0.000 0.913 489 D HN 0.522 nan 8.370 nan 0.000 0.523 490 K N -0.271 120.190 120.400 0.101 0.000 2.493 490 K HA 0.122 4.442 4.320 0.000 0.000 0.201 490 K C -0.120 176.518 176.600 0.063 0.000 1.355 490 K CA -0.171 56.160 56.287 0.073 0.000 0.953 490 K CB 0.988 33.532 32.500 0.074 0.000 1.316 490 K HN -0.037 nan 8.250 nan 0.000 0.522 491 I N 3.422 124.032 120.570 0.066 0.000 2.396 491 I HA 0.145 4.316 4.170 0.000 0.000 0.292 491 I C 0.469 176.616 176.117 0.050 0.000 0.999 491 I CA -0.126 61.202 61.300 0.046 0.000 1.310 491 I CB 1.184 39.200 38.000 0.026 0.000 1.404 491 I HN 0.170 nan 8.210 nan 0.000 0.496 492 T N 1.367 115.948 114.554 0.044 0.000 2.932 492 T HA 0.605 4.955 4.350 0.000 0.000 0.289 492 T C -0.335 174.397 174.700 0.053 0.000 1.039 492 T CA -0.887 61.245 62.100 0.054 0.000 1.024 492 T CB 2.338 71.234 68.868 0.047 0.000 1.090 492 T HN 0.543 nan 8.240 nan 0.000 0.496 493 D N 0.765 121.213 120.400 0.079 0.000 2.511 493 D HA 0.483 5.123 4.640 0.000 0.000 0.276 493 D C 1.675 178.017 176.300 0.069 0.000 1.220 493 D CA -0.465 53.587 54.000 0.088 0.000 1.077 493 D CB -0.049 40.840 40.800 0.148 0.000 1.126 493 D HN 0.632 nan 8.370 nan 0.000 0.583 494 A N -1.372 121.482 122.820 0.056 0.000 2.076 494 A HA -0.146 4.174 4.320 0.000 0.000 0.220 494 A C 1.119 178.543 177.584 -0.267 0.000 1.160 494 A CA 1.050 53.026 52.037 -0.101 0.000 0.653 494 A CB -0.992 17.924 19.000 -0.142 0.000 0.801 494 A HN 0.555 nan 8.150 nan 0.000 0.455 495 Y N -1.615 118.702 120.300 0.029 0.000 2.681 495 Y HA 0.270 4.820 4.550 0.000 0.000 0.267 495 Y C 0.773 176.695 175.900 0.037 0.000 1.166 495 Y CA -0.228 57.891 58.100 0.031 0.000 1.209 495 Y CB -0.200 38.266 38.460 0.010 0.000 1.161 495 Y HN 0.420 nan 8.280 nan 0.000 0.534 496 N N -0.493 118.277 118.700 0.116 0.000 2.782 496 N HA -0.161 4.579 4.740 0.000 0.000 0.251 496 N C -0.639 174.916 175.510 0.075 0.000 1.101 496 N CA 0.589 53.684 53.050 0.076 0.000 0.764 496 N CB -0.562 37.960 38.487 0.059 0.000 1.122 496 N HN 0.121 nan 8.380 nan 0.000 0.561 497 M N -0.134 119.528 119.600 0.104 0.000 2.528 497 M HA 0.427 4.907 4.480 0.000 0.000 0.318 497 M C -2.046 174.310 176.300 0.094 0.000 1.195 497 M CA -2.112 53.235 55.300 0.078 0.000 1.000 497 M CB 0.391 33.043 32.600 0.087 0.000 1.615 497 M HN -0.245 nan 8.290 nan 0.000 0.469 498 P HA -0.023 nan 4.420 nan 0.000 0.261 498 P C -0.594 176.839 177.300 0.221 0.000 1.183 498 P CA 0.107 63.291 63.100 0.140 0.000 0.761 498 P CB 0.217 32.003 31.700 0.144 0.000 0.785 499 Q N 7.051 126.930 119.800 0.133 0.000 2.271 499 Q HA 0.139 4.479 4.340 0.000 0.000 0.273 499 Q C -2.252 173.701 176.000 -0.079 0.000 1.051 499 Q CA -1.719 54.113 55.803 0.048 0.000 0.901 499 Q CB -0.209 28.515 28.738 -0.024 0.000 1.174 499 Q HN 0.292 nan 8.270 nan 0.000 0.385 500 P HA 0.157 nan 4.420 nan 0.000 0.275 500 P C -1.105 175.699 177.300 -0.827 0.000 1.227 500 P CA -0.233 62.436 63.100 -0.719 0.000 0.781 500 P CB 1.165 32.516 31.700 -0.581 0.000 0.906 501 T N 2.794 116.630 114.554 -1.197 0.000 2.921 501 T HA 0.515 4.866 4.350 0.000 0.000 0.297 501 T C -0.594 173.428 174.700 -1.130 0.000 1.013 501 T CA -0.122 61.279 62.100 -1.164 0.000 0.990 501 T CB 0.518 68.382 68.868 -1.674 0.000 1.023 501 T HN 0.060 nan 8.240 nan 0.000 0.447 502 F N 1.877 121.567 119.950 -0.433 0.000 2.422 502 F HA 0.532 5.059 4.527 0.000 0.000 0.333 502 F C 0.623 176.390 175.800 -0.055 0.000 1.095 502 F CA -0.932 56.938 58.000 -0.216 0.000 1.038 502 F CB 1.168 40.083 39.000 -0.141 0.000 1.156 502 F HN 0.412 nan 8.300 nan 0.000 0.483 503 D N 3.356 123.941 120.400 0.308 0.000 2.408 503 D HA 0.208 4.848 4.640 0.000 0.000 0.261 503 D C -1.748 174.691 176.300 0.231 0.000 1.190 503 D CA -0.109 54.051 54.000 0.267 0.000 0.910 503 D CB 0.214 41.198 40.800 0.306 0.000 1.097 503 D HN 0.296 nan 8.370 nan 0.000 0.522 504 F N 2.986 122.938 119.950 0.004 0.000 2.556 504 F HA 0.616 5.143 4.527 0.000 0.000 0.314 504 F C -1.015 174.687 175.800 -0.164 0.000 1.106 504 F CA -0.638 57.295 58.000 -0.110 0.000 0.911 504 F CB 1.406 40.275 39.000 -0.218 0.000 1.190 504 F HN -0.008 nan 8.300 nan 0.000 0.448 505 R N 4.598 124.522 120.500 -0.960 0.000 2.651 505 R HA 0.327 4.667 4.340 0.000 0.000 0.278 505 R C -1.629 174.034 176.300 -1.061 0.000 1.010 505 R CA -0.927 54.739 56.100 -0.724 0.000 0.896 505 R CB 1.769 31.888 30.300 -0.302 0.000 1.211 505 R HN 0.618 nan 8.270 nan 0.000 0.456 506 F N 3.325 123.012 119.950 -0.437 0.000 2.578 506 F HA 0.135 4.662 4.527 0.000 0.000 0.381 506 F C -1.284 174.378 175.800 -0.229 0.000 1.069 506 F CA -0.824 57.023 58.000 -0.256 0.000 1.231 506 F CB -0.058 38.928 39.000 -0.023 0.000 1.086 506 F HN 0.150 nan 8.300 nan 0.000 0.564 507 P HA 0.129 nan 4.420 nan 0.000 0.268 507 P C -0.566 176.748 177.300 0.025 0.000 1.204 507 P CA -0.158 62.918 63.100 -0.041 0.000 0.768 507 P CB 0.576 32.273 31.700 -0.005 0.000 0.842 508 A N 2.840 125.661 122.820 0.002 0.000 2.366 508 A HA 0.588 4.908 4.320 0.000 0.000 0.250 508 A C 1.105 178.707 177.584 0.029 0.000 1.099 508 A CA 0.758 52.803 52.037 0.014 0.000 0.794 508 A CB -0.911 18.088 19.000 -0.001 0.000 1.056 508 A HN 0.818 nan 8.150 nan 0.000 0.499 509 G N -0.185 108.634 108.800 0.031 0.000 2.503 509 G HA2 -0.243 3.717 3.960 0.000 0.000 0.235 509 G HA3 -0.243 3.717 3.960 0.000 0.000 0.235 509 G C 1.027 175.960 174.900 0.055 0.000 1.179 509 G CA 0.745 45.869 45.100 0.040 0.000 0.944 509 G HN 1.004 nan 8.290 nan 0.000 0.580 510 R N -0.172 120.368 120.500 0.066 0.000 2.083 510 R HA -0.086 4.254 4.340 0.000 0.000 0.237 510 R C 2.822 179.184 176.300 0.104 0.000 1.137 510 R CA 2.769 58.919 56.100 0.083 0.000 0.951 510 R CB -0.961 29.389 30.300 0.084 0.000 0.851 510 R HN 0.626 nan 8.270 nan 0.000 0.434 511 T N 0.124 114.745 114.554 0.111 0.000 2.665 511 T HA -0.145 4.205 4.350 0.000 0.000 0.268 511 T C 1.925 176.692 174.700 0.111 0.000 1.035 511 T CA 1.964 64.148 62.100 0.139 0.000 1.151 511 T CB -0.201 68.768 68.868 0.167 0.000 0.862 511 T HN 0.291 nan 8.240 nan 0.000 0.438 512 S N 0.306 116.053 115.700 0.079 0.000 2.371 512 S HA 0.003 4.473 4.470 0.000 0.000 0.224 512 S C 2.019 176.640 174.600 0.035 0.000 1.029 512 S CA 0.790 59.008 58.200 0.031 0.000 0.978 512 S CB -0.165 63.045 63.200 0.017 0.000 0.833 512 S HN 0.466 nan 8.310 nan 0.000 0.466 513 K N 1.417 121.851 120.400 0.057 0.000 2.032 513 K HA -0.158 4.162 4.320 0.000 0.000 0.209 513 K C 1.868 178.527 176.600 0.098 0.000 1.048 513 K CA 1.531 57.858 56.287 0.066 0.000 0.927 513 K CB -0.180 32.362 32.500 0.070 0.000 0.712 513 K HN 0.361 nan 8.250 nan 0.000 0.441 514 E N -0.038 120.247 120.200 0.141 0.000 2.110 514 E HA -0.193 4.157 4.350 0.000 0.000 0.193 514 E C 1.967 178.656 176.600 0.148 0.000 0.988 514 E CA 1.038 57.576 56.400 0.229 0.000 0.804 514 E CB -0.134 29.740 29.700 0.291 0.000 0.745 514 E HN 0.454 nan 8.360 nan 0.000 0.458 515 A N 1.318 124.200 122.820 0.103 0.000 1.908 515 A HA -0.263 4.057 4.320 0.000 0.000 0.218 515 A C 2.087 179.729 177.584 0.097 0.000 1.181 515 A CA 1.859 53.949 52.037 0.088 0.000 0.627 515 A CB -0.383 18.641 19.000 0.039 0.000 0.818 515 A HN 0.137 nan 8.150 nan 0.000 0.445 516 E N 0.413 120.662 120.200 0.082 0.000 2.107 516 E HA -0.126 4.224 4.350 0.000 0.000 0.191 516 E C 1.336 177.915 176.600 -0.035 0.000 0.982 516 E CA 1.381 57.826 56.400 0.075 0.000 0.809 516 E CB -0.288 29.442 29.700 0.051 0.000 0.756 516 E HN 0.529 nan 8.360 nan 0.000 0.459 517 D N 0.022 120.403 120.400 -0.031 0.000 2.149 517 D HA -0.198 4.442 4.640 0.000 0.000 0.198 517 D C 1.927 177.985 176.300 -0.403 0.000 0.990 517 D CA 1.256 55.220 54.000 -0.061 0.000 0.839 517 D CB -0.361 40.535 40.800 0.160 0.000 0.948 517 D HN 0.317 nan 8.370 nan 0.000 0.460 518 M N -0.210 118.959 119.600 -0.719 0.000 2.117 518 M HA -0.210 4.270 4.480 0.000 0.000 0.262 518 M C 2.093 177.983 176.300 -0.683 0.000 1.065 518 M CA 1.296 55.849 55.300 -1.245 0.000 1.114 518 M CB -0.010 32.032 32.600 -0.930 0.000 1.361 518 M HN -0.018 nan 8.290 nan 0.000 0.408 519 M N 0.271 119.583 119.600 -0.480 0.000 2.080 519 M HA -0.160 4.320 4.480 0.000 0.000 0.260 519 M C 1.757 177.840 176.300 -0.361 0.000 1.068 519 M CA 2.384 57.399 55.300 -0.476 0.000 1.109 519 M CB -0.923 31.438 32.600 -0.398 0.000 1.342 519 M HN 0.254 nan 8.290 nan 0.000 0.405 520 T N -0.066 114.346 114.554 -0.237 0.000 2.746 520 T HA -0.155 4.196 4.350 0.000 0.000 0.267 520 T C 1.468 176.094 174.700 -0.123 0.000 1.039 520 T CA 1.798 63.814 62.100 -0.141 0.000 1.142 520 T CB -0.560 68.269 68.868 -0.064 0.000 0.866 520 T HN 0.549 nan 8.240 nan 0.000 0.444 521 D N 0.471 120.797 120.400 -0.123 0.000 2.144 521 D HA -0.045 4.595 4.640 0.000 0.000 0.199 521 D C 2.064 178.366 176.300 0.003 0.000 0.984 521 D CA 0.767 54.804 54.000 0.061 0.000 0.834 521 D CB -0.192 40.757 40.800 0.248 0.000 0.955 521 D HN 0.273 nan 8.370 nan 0.000 0.465 522 M N -0.497 118.879 119.600 -0.373 0.000 2.117 522 M HA -0.174 4.306 4.480 0.000 0.000 0.262 522 M C 1.885 177.889 176.300 -0.494 0.000 1.065 522 M CA 1.304 56.117 55.300 -0.812 0.000 1.114 522 M CB -0.127 31.712 32.600 -1.269 0.000 1.361 522 M HN 0.211 nan 8.290 nan 0.000 0.408 523 C N -0.433 118.675 119.300 -0.321 0.000 2.432 523 C HA -0.116 4.345 4.460 0.000 0.000 0.277 523 C C 2.658 177.554 174.990 -0.157 0.000 1.249 523 C CA 0.871 59.800 59.018 -0.149 0.000 1.725 523 C CB -1.028 26.669 27.740 -0.071 0.000 2.028 523 C HN 0.490 nan 8.230 nan 0.000 0.477 524 V N 0.615 120.468 119.914 -0.101 0.000 2.295 524 V HA -0.302 3.818 4.120 0.000 0.000 0.246 524 V C 2.394 178.469 176.094 -0.033 0.000 1.049 524 V CA 2.348 64.621 62.300 -0.045 0.000 1.024 524 V CB -0.656 31.188 31.823 0.035 0.000 0.648 524 V HN 0.595 nan 8.190 nan 0.000 0.447 525 M N 0.644 120.258 119.600 0.022 0.000 2.156 525 M HA -0.148 4.332 4.480 0.000 0.000 0.264 525 M C 2.500 178.679 176.300 -0.203 0.000 1.067 525 M CA 2.171 57.552 55.300 0.135 0.000 1.131 525 M CB -0.196 32.631 32.600 0.378 0.000 1.368 525 M HN 0.545 nan 8.290 nan 0.000 0.416 526 S N 0.622 115.880 115.700 -0.737 0.000 2.400 526 S HA -0.109 4.361 4.470 0.000 0.000 0.232 526 S C 1.953 176.176 174.600 -0.627 0.000 1.025 526 S CA 1.132 58.553 58.200 -1.300 0.000 0.993 526 S CB -0.880 61.372 63.200 -1.580 0.000 0.808 526 S HN 0.575 nan 8.310 nan 0.000 0.478 527 A N 1.730 124.280 122.820 -0.451 0.000 2.067 527 A HA 0.044 4.364 4.320 0.000 0.000 0.219 527 A C 2.157 179.620 177.584 -0.203 0.000 1.158 527 A CA 1.313 53.137 52.037 -0.355 0.000 0.661 527 A CB -0.521 18.301 19.000 -0.297 0.000 0.801 527 A HN 0.625 nan 8.150 nan 0.000 0.452 528 K N -0.703 119.624 120.400 -0.121 0.000 2.283 528 K HA 0.027 4.348 4.320 0.000 0.000 0.202 528 K C 1.139 177.735 176.600 -0.006 0.000 1.048 528 K CA 0.787 57.049 56.287 -0.041 0.000 0.948 528 K CB 0.027 32.542 32.500 0.027 0.000 0.742 528 K HN 0.384 nan 8.250 nan 0.000 0.458 529 I N -1.038 119.544 120.570 0.019 0.000 3.172 529 I HA 0.184 4.354 4.170 0.000 0.000 0.278 529 I C 1.052 177.182 176.117 0.021 0.000 1.174 529 I CA 0.551 61.906 61.300 0.091 0.000 1.445 529 I CB 0.175 38.369 38.000 0.324 0.000 1.175 529 I HN 0.112 nan 8.210 nan 0.000 0.447 530 G N -0.745 108.013 108.800 -0.071 0.000 2.322 530 G HA2 0.443 4.403 3.960 0.000 0.000 0.295 530 G HA3 0.443 4.403 3.960 0.000 0.000 0.295 530 G C -0.654 174.083 174.900 -0.270 0.000 1.369 530 G CA -0.190 44.838 45.100 -0.120 0.000 0.821 530 G HN 0.270 nan 8.290 nan 0.000 0.536 531 G N -1.050 107.591 108.800 -0.265 0.000 2.507 531 G HA2 0.556 4.516 3.960 0.000 0.000 0.271 531 G HA3 0.556 4.516 3.960 0.000 0.000 0.271 531 G C -0.218 174.498 174.900 -0.307 0.000 1.189 531 G CA -0.504 44.350 45.100 -0.409 0.000 0.859 531 G HN 0.455 nan 8.290 nan 0.000 0.542 532 F N -0.459 119.403 119.950 -0.147 0.000 2.602 532 F HA 0.136 4.663 4.527 0.000 0.000 0.367 532 F C 0.756 176.498 175.800 -0.097 0.000 1.126 532 F CA -0.700 57.210 58.000 -0.151 0.000 1.321 532 F CB 0.545 39.450 39.000 -0.159 0.000 1.094 532 F HN 0.162 nan 8.300 nan 0.000 0.594 533 L N 6.359 127.662 121.223 0.134 0.000 2.313 533 L HA 0.404 4.744 4.340 0.000 0.000 0.282 533 L C -2.367 174.547 176.870 0.073 0.000 1.092 533 L CA -1.958 52.923 54.840 0.069 0.000 0.831 533 L CB 0.116 42.201 42.059 0.044 0.000 1.159 533 L HN 0.285 nan 8.230 nan 0.000 0.442 534 P HA 0.196 nan 4.420 nan 0.000 0.262 534 P C 0.608 177.945 177.300 0.062 0.000 1.182 534 P CA 1.082 64.215 63.100 0.054 0.000 0.761 534 P CB 0.650 32.377 31.700 0.045 0.000 0.795 535 G N 2.189 111.019 108.800 0.050 0.000 2.213 535 G HA2 -0.227 3.733 3.960 0.000 0.000 0.236 535 G HA3 -0.227 3.733 3.960 0.000 0.000 0.236 535 G C 0.520 175.482 174.900 0.103 0.000 0.991 535 G CA 0.184 45.330 45.100 0.076 0.000 0.629 535 G HN 0.512 nan 8.290 nan 0.000 0.517 536 S N 0.830 116.568 115.700 0.065 0.000 2.617 536 S HA 0.591 5.062 4.470 0.000 0.000 0.237 536 S C 0.802 175.304 174.600 -0.163 0.000 1.142 536 S CA 0.186 58.418 58.200 0.053 0.000 1.167 536 S CB 0.696 63.930 63.200 0.057 0.000 1.068 536 S HN 1.133 nan 8.310 nan 0.000 0.470 537 G N 2.351 111.017 108.800 -0.224 0.000 2.580 537 G HA2 0.502 4.462 3.960 0.000 0.000 0.278 537 G HA3 0.502 4.462 3.960 0.000 0.000 0.278 537 G C -3.018 171.529 174.900 -0.588 0.000 1.212 537 G CA -1.698 43.066 45.100 -0.561 0.000 0.939 537 G HN 0.120 nan 8.290 nan 0.000 0.513 538 P HA 0.140 nan 4.420 nan 0.000 0.264 538 P C -0.540 176.534 177.300 -0.376 0.000 1.193 538 P CA 0.379 63.101 63.100 -0.630 0.000 0.763 538 P CB 0.606 31.906 31.700 -0.668 0.000 0.810 539 Q N 1.482 121.104 119.800 -0.297 0.000 2.479 539 Q HA 0.449 4.789 4.340 0.000 0.000 0.276 539 Q C -1.515 174.358 176.000 -0.212 0.000 0.989 539 Q CA -0.818 54.893 55.803 -0.154 0.000 0.864 539 Q CB 0.592 29.314 28.738 -0.026 0.000 1.444 539 Q HN 0.086 nan 8.270 nan 0.000 0.388 540 F N 1.673 121.571 119.950 -0.087 0.000 2.443 540 F HA 0.306 4.833 4.527 0.000 0.000 0.353 540 F C 0.605 176.373 175.800 -0.054 0.000 1.101 540 F CA -0.191 57.756 58.000 -0.088 0.000 1.226 540 F CB 0.937 39.871 39.000 -0.109 0.000 1.140 540 F HN 0.416 nan 8.300 nan 0.000 0.557 541 M N 1.694 121.357 119.600 0.105 0.000 2.291 541 M HA 0.133 4.613 4.480 0.000 0.000 0.324 541 M C 0.189 176.531 176.300 0.069 0.000 1.148 541 M CA -0.633 54.692 55.300 0.043 0.000 1.104 541 M CB 0.680 33.265 32.600 -0.026 0.000 1.483 541 M HN 0.584 nan 8.290 nan 0.000 0.467 542 E N 3.059 123.274 120.200 0.026 0.000 2.652 542 E HA -0.024 4.326 4.350 0.000 0.000 0.255 542 E C -2.155 174.469 176.600 0.039 0.000 0.952 542 E CA -1.048 55.365 56.400 0.022 0.000 0.947 542 E CB 0.271 29.960 29.700 -0.018 0.000 0.912 542 E HN 0.195 nan 8.360 nan 0.000 0.489 543 P HA 0.007 nan 4.420 nan 0.000 0.261 543 P C 0.434 177.680 177.300 -0.090 0.000 1.183 543 P CA 1.204 64.359 63.100 0.091 0.000 0.761 543 P CB 0.705 32.470 31.700 0.109 0.000 0.785 544 G N 2.497 111.237 108.800 -0.101 0.000 2.241 544 G HA2 -0.337 3.623 3.960 0.000 0.000 0.244 544 G HA3 -0.337 3.623 3.960 0.000 0.000 0.244 544 G C 0.806 175.660 174.900 -0.075 0.000 0.998 544 G CA 0.227 45.228 45.100 -0.164 0.000 0.621 544 G HN 0.524 nan 8.290 nan 0.000 0.519 545 L N 1.070 122.265 121.223 -0.045 0.000 2.127 545 L HA 0.088 4.428 4.340 0.000 0.000 0.211 545 L C 2.880 179.740 176.870 -0.017 0.000 1.089 545 L CA 2.507 57.326 54.840 -0.035 0.000 0.757 545 L CB -0.526 41.505 42.059 -0.046 0.000 0.899 545 L HN 0.431 nan 8.230 nan 0.000 0.434 546 V N -0.132 119.779 119.914 -0.004 0.000 2.324 546 V HA -0.258 3.862 4.120 0.000 0.000 0.250 546 V C 1.663 177.675 176.094 -0.136 0.000 1.060 546 V CA 1.812 64.100 62.300 -0.020 0.000 1.042 546 V CB -0.201 31.660 31.823 0.062 0.000 0.650 546 V HN 0.547 nan 8.190 nan 0.000 0.450 547 L N -0.686 120.515 121.223 -0.038 0.000 3.730 547 L HA -0.230 4.110 4.340 0.000 0.000 0.410 547 L C 0.174 177.159 176.870 0.192 0.000 1.234 547 L CA 0.796 55.668 54.840 0.054 0.000 0.911 547 L CB -2.549 39.573 42.059 0.106 0.000 1.942 547 L HN 0.571 nan 8.230 nan 0.000 0.860 548 H N -0.405 118.775 119.070 0.182 0.000 2.507 548 H HA 0.328 4.884 4.556 0.000 0.000 0.271 548 H C 0.404 175.871 175.328 0.231 0.000 1.224 548 H CA -1.096 55.097 56.048 0.241 0.000 1.000 548 H CB 0.604 30.565 29.762 0.331 0.000 1.663 548 H HN 0.151 nan 8.280 nan 0.000 0.548 549 L N 2.263 123.624 121.223 0.230 0.000 2.615 549 L HA 0.129 4.469 4.340 0.000 0.000 0.271 549 L C 0.691 177.682 176.870 0.202 0.000 1.183 549 L CA 0.595 55.520 54.840 0.143 0.000 0.933 549 L CB -0.001 42.109 42.059 0.086 0.000 1.199 549 L HN 0.366 nan 8.230 nan 0.000 0.487 550 G N 2.274 111.215 108.800 0.235 0.000 2.568 550 G HA2 0.537 4.497 3.960 0.000 0.000 0.313 550 G HA3 0.537 4.497 3.960 0.000 0.000 0.313 550 G C 0.489 175.489 174.900 0.166 0.000 1.227 550 G CA -0.301 44.961 45.100 0.271 0.000 0.979 550 G HN 1.262 nan 8.290 nan 0.000 0.486 551 G N -1.107 107.762 108.800 0.115 0.000 2.179 551 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 551 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 551 G C 1.443 176.402 174.900 0.097 0.000 0.977 551 G CA 1.548 46.719 45.100 0.120 0.000 0.641 551 G HN 1.834 nan 8.290 nan 0.000 0.533 552 T N -1.750 112.816 114.554 0.020 0.000 2.962 552 T HA 0.086 4.436 4.350 0.000 0.000 0.270 552 T C 1.103 175.868 174.700 0.108 0.000 1.088 552 T CA 1.965 64.108 62.100 0.072 0.000 1.127 552 T CB -0.337 68.577 68.868 0.076 0.000 0.883 552 T HN 1.558 nan 8.240 nan 0.000 0.493 553 H N -0.259 118.882 119.070 0.118 0.000 2.695 553 H HA 0.457 5.013 4.556 0.000 0.000 0.222 553 H C -0.089 175.280 175.328 0.067 0.000 1.412 553 H CA -1.337 54.756 56.048 0.076 0.000 1.347 553 H CB -0.365 29.407 29.762 0.017 0.000 1.858 553 H HN 0.367 nan 8.280 nan 0.000 0.519 554 R N 0.720 121.300 120.500 0.134 0.000 2.694 554 R HA 0.272 4.612 4.340 0.000 0.000 0.268 554 R C -0.367 175.990 176.300 0.095 0.000 1.061 554 R CA -0.664 55.490 56.100 0.089 0.000 1.133 554 R CB 0.929 31.274 30.300 0.075 0.000 1.020 554 R HN 0.488 nan 8.270 nan 0.000 0.475 555 M N 1.498 121.130 119.600 0.054 0.000 2.277 555 M HA 0.444 4.924 4.480 0.000 0.000 0.350 555 M C -0.528 175.767 176.300 -0.009 0.000 1.180 555 M CA 0.187 55.496 55.300 0.014 0.000 1.103 555 M CB 1.600 34.185 32.600 -0.025 0.000 1.577 555 M HN 0.950 nan 8.290 nan 0.000 0.459 556 G N 2.258 111.062 108.800 0.007 0.000 2.619 556 G HA2 0.404 4.364 3.960 0.000 0.000 0.305 556 G HA3 0.404 4.364 3.960 0.000 0.000 0.305 556 G C -0.864 174.016 174.900 -0.034 0.000 1.330 556 G CA -0.653 44.392 45.100 -0.092 0.000 0.789 556 G HN 0.669 nan 8.290 nan 0.000 0.487 557 F N 0.024 120.069 119.950 0.157 0.000 2.187 557 F HA 0.255 4.782 4.527 0.000 0.000 0.295 557 F C 1.104 177.014 175.800 0.184 0.000 1.091 557 F CA 1.186 59.282 58.000 0.160 0.000 1.308 557 F CB 0.336 39.391 39.000 0.093 0.000 1.030 557 F HN 0.354 nan 8.300 nan 0.000 0.487 558 D N -0.843 119.707 120.400 0.251 0.000 2.629 558 D HA 0.129 4.769 4.640 0.000 0.000 0.250 558 D C 0.758 176.924 176.300 -0.224 0.000 1.126 558 D CA -0.241 53.766 54.000 0.012 0.000 0.852 558 D CB 1.309 42.128 40.800 0.032 0.000 1.335 558 D HN 0.107 nan 8.370 nan 0.000 0.518 559 E N 3.146 122.909 120.200 -0.727 0.000 2.065 559 E HA -0.307 4.043 4.350 0.000 0.000 0.201 559 E C 1.309 177.741 176.600 -0.279 0.000 1.016 559 E CA 1.426 57.336 56.400 -0.817 0.000 0.818 559 E CB 0.259 29.328 29.700 -1.052 0.000 0.749 559 E HN 0.451 nan 8.360 nan 0.000 0.453 560 K N 0.250 120.531 120.400 -0.198 0.000 2.067 560 K HA -0.114 4.206 4.320 0.000 0.000 0.203 560 K C 2.210 178.784 176.600 -0.044 0.000 1.048 560 K CA 1.158 57.394 56.287 -0.085 0.000 0.954 560 K CB -0.040 32.421 32.500 -0.065 0.000 0.737 560 K HN 0.061 nan 8.250 nan 0.000 0.444 561 E N 0.107 120.284 120.200 -0.039 0.000 2.110 561 E HA -0.177 4.173 4.350 0.000 0.000 0.193 561 E C 0.366 176.968 176.600 0.003 0.000 0.988 561 E CA 1.308 57.706 56.400 -0.003 0.000 0.804 561 E CB 0.196 29.905 29.700 0.016 0.000 0.745 561 E HN 0.328 nan 8.360 nan 0.000 0.458 562 D N 0.043 120.440 120.400 -0.005 0.000 2.402 562 D HA 0.058 4.698 4.640 0.000 0.000 0.216 562 D C -0.702 175.546 176.300 -0.087 0.000 1.128 562 D CA -0.040 53.953 54.000 -0.011 0.000 0.833 562 D CB 0.013 40.845 40.800 0.052 0.000 0.971 562 D HN 0.165 nan 8.370 nan 0.000 0.503 563 N N 0.613 119.261 118.700 -0.087 0.000 2.642 563 N HA -0.192 4.548 4.740 0.000 0.000 0.269 563 N C -0.329 175.123 175.510 -0.096 0.000 1.073 563 N CA 0.643 53.624 53.050 -0.115 0.000 0.748 563 N CB -1.451 36.834 38.487 -0.338 0.000 0.894 563 N HN 0.408 nan 8.380 nan 0.000 0.548 564 C N -3.093 116.223 119.300 0.027 0.000 3.323 564 C HA 0.777 5.237 4.460 0.000 0.000 0.324 564 C C 1.314 176.480 174.990 0.293 0.000 1.428 564 C CA -0.649 58.454 59.018 0.142 0.000 1.368 564 C CB 1.516 29.358 27.740 0.169 0.000 1.731 564 C HN 0.515 nan 8.230 nan 0.000 0.455 565 C N 0.378 119.874 119.300 0.327 0.000 2.937 565 C HA 0.480 4.940 4.460 0.000 0.000 0.426 565 C C 0.689 175.762 174.990 0.139 0.000 1.321 565 C CA 0.598 59.802 59.018 0.310 0.000 2.082 565 C CB -0.389 27.455 27.740 0.174 0.000 2.834 565 C HN 0.974 nan 8.230 nan 0.000 0.593 566 V N 1.434 121.327 119.914 -0.034 0.000 2.823 566 V HA 0.677 4.797 4.120 0.000 0.000 0.312 566 V C -0.644 175.150 176.094 -0.500 0.000 1.072 566 V CA -0.671 61.379 62.300 -0.416 0.000 0.937 566 V CB 1.423 33.121 31.823 -0.207 0.000 1.013 566 V HN 0.415 nan 8.190 nan 0.000 0.430 567 N N 1.414 119.642 118.700 -0.787 0.000 2.366 567 N HA 0.194 4.934 4.740 0.000 0.000 0.277 567 N C 1.105 176.484 175.510 -0.218 0.000 1.275 567 N CA 0.320 53.142 53.050 -0.379 0.000 0.964 567 N CB 0.013 38.301 38.487 -0.332 0.000 1.167 567 N HN 0.949 nan 8.380 nan 0.000 0.568 568 T N -4.654 109.808 114.554 -0.154 0.000 3.113 568 T HA -0.006 4.344 4.350 0.000 0.000 0.263 568 T C 0.186 174.812 174.700 -0.124 0.000 1.143 568 T CA 0.670 62.677 62.100 -0.155 0.000 1.090 568 T CB -0.372 68.404 68.868 -0.153 0.000 0.922 568 T HN 0.447 nan 8.240 nan 0.000 0.521 569 D N 0.980 121.300 120.400 -0.133 0.000 2.328 569 D HA 0.184 4.824 4.640 0.000 0.000 0.221 569 D C 0.611 176.910 176.300 -0.002 0.000 1.072 569 D CA 0.124 54.062 54.000 -0.104 0.000 0.850 569 D CB 0.082 40.704 40.800 -0.297 0.000 0.922 569 D HN 0.325 nan 8.370 nan 0.000 0.516 570 S N 0.158 115.828 115.700 -0.049 0.000 3.476 570 S HA -0.242 4.228 4.470 0.000 0.000 0.309 570 S C 0.527 175.126 174.600 -0.001 0.000 1.222 570 S CA 0.419 58.626 58.200 0.012 0.000 0.922 570 S CB -1.208 62.071 63.200 0.132 0.000 1.023 570 S HN 0.452 nan 8.310 nan 0.000 0.591 571 R N 1.133 121.516 120.500 -0.196 0.000 2.357 571 R HA 0.444 4.784 4.340 0.000 0.000 0.296 571 R C -0.032 175.957 176.300 -0.519 0.000 1.052 571 R CA -0.397 55.396 56.100 -0.511 0.000 0.988 571 R CB 0.681 30.639 30.300 -0.570 0.000 1.025 571 R HN 0.138 nan 8.270 nan 0.000 0.469 572 V N 6.185 125.827 119.914 -0.453 0.000 2.485 572 V HA 0.001 4.121 4.120 0.000 0.000 0.287 572 V C 0.149 176.172 176.094 -0.118 0.000 1.022 572 V CA 0.168 62.288 62.300 -0.301 0.000 1.067 572 V CB -0.190 31.460 31.823 -0.289 0.000 0.967 572 V HN 0.554 nan 8.190 nan 0.000 0.479 573 F N 4.098 124.090 119.950 0.070 0.000 2.604 573 F HA 0.364 4.891 4.527 0.000 0.000 0.393 573 F C 1.581 177.518 175.800 0.229 0.000 1.043 573 F CA 1.556 59.623 58.000 0.113 0.000 1.227 573 F CB -0.246 38.813 39.000 0.098 0.000 1.016 573 F HN 0.803 nan 8.300 nan 0.000 0.556 574 G N 2.213 111.198 108.800 0.309 0.000 2.258 574 G HA2 -0.286 3.674 3.960 0.000 0.000 0.233 574 G HA3 -0.286 3.674 3.960 0.000 0.000 0.233 574 G C -0.113 174.712 174.900 -0.126 0.000 1.006 574 G CA -0.508 44.655 45.100 0.106 0.000 0.620 574 G HN 0.426 nan 8.290 nan 0.000 0.511 575 F N 1.694 121.668 119.950 0.041 0.000 2.411 575 F HA 0.569 5.096 4.527 0.000 0.000 0.352 575 F C 1.482 177.265 175.800 -0.029 0.000 1.123 575 F CA -0.979 57.028 58.000 0.011 0.000 1.044 575 F CB 1.623 40.628 39.000 0.007 0.000 1.135 575 F HN -0.190 nan 8.300 nan 0.000 0.461 576 K N 1.704 122.189 120.400 0.142 0.000 2.147 576 K HA -0.132 4.189 4.320 0.000 0.000 0.205 576 K C 0.747 177.534 176.600 0.312 0.000 1.049 576 K CA 1.352 57.764 56.287 0.209 0.000 0.936 576 K CB -0.013 32.616 32.500 0.215 0.000 0.722 576 K HN 0.639 nan 8.250 nan 0.000 0.446 577 N N -0.019 118.830 118.700 0.247 0.000 2.377 577 N HA 0.045 4.785 4.740 0.000 0.000 0.259 577 N C -0.760 174.821 175.510 0.118 0.000 1.332 577 N CA -0.314 52.908 53.050 0.287 0.000 0.877 577 N CB 0.016 38.742 38.487 0.398 0.000 1.299 577 N HN -0.059 nan 8.380 nan 0.000 0.501 578 L N 0.623 121.703 121.223 -0.239 0.000 2.356 578 L HA 0.708 5.048 4.340 0.000 0.000 0.277 578 L C -1.792 174.641 176.870 -0.728 0.000 0.996 578 L CA -0.665 54.004 54.840 -0.286 0.000 0.822 578 L CB 1.091 43.000 42.059 -0.250 0.000 1.256 578 L HN -0.014 nan 8.230 nan 0.000 0.413 579 F N 4.857 124.724 119.950 -0.138 0.000 2.563 579 F HA 0.691 5.218 4.527 0.000 0.000 0.316 579 F C -0.612 175.035 175.800 -0.255 0.000 1.076 579 F CA -0.676 57.220 58.000 -0.174 0.000 0.921 579 F CB 1.844 40.764 39.000 -0.134 0.000 1.209 579 F HN 0.185 nan 8.300 nan 0.000 0.462 580 L N 1.757 122.937 121.223 -0.072 0.000 2.362 580 L HA 0.920 5.260 4.340 0.000 0.000 0.271 580 L C -0.035 176.840 176.870 0.009 0.000 1.002 580 L CA -0.846 53.886 54.840 -0.181 0.000 0.818 580 L CB 2.045 43.839 42.059 -0.441 0.000 1.298 580 L HN 0.780 nan 8.230 nan 0.000 0.420 581 G N 0.121 108.938 108.800 0.029 0.000 2.519 581 G HA2 0.798 4.758 3.960 0.000 0.000 0.307 581 G HA3 0.798 4.758 3.960 0.000 0.000 0.307 581 G C -0.546 174.469 174.900 0.191 0.000 1.266 581 G CA -0.312 44.903 45.100 0.191 0.000 0.970 581 G HN 0.980 nan 8.290 nan 0.000 0.481 582 G N -1.287 107.618 108.800 0.175 0.000 2.354 582 G HA2 0.064 4.024 3.960 0.000 0.000 0.582 582 G HA3 0.064 4.024 3.960 0.000 0.000 0.582 582 G C 0.814 175.763 174.900 0.082 0.000 1.316 582 G CA 0.047 45.227 45.100 0.132 0.000 0.995 582 G HN 1.223 nan 8.290 nan 0.000 0.573 583 C N 0.633 119.957 119.300 0.041 0.000 2.419 583 C HA 0.165 4.625 4.460 0.000 0.000 0.283 583 C C 3.100 178.069 174.990 -0.035 0.000 1.373 583 C CA 1.869 60.891 59.018 0.007 0.000 1.781 583 C CB -1.425 26.351 27.740 0.059 0.000 1.886 583 C HN 1.338 nan 8.230 nan 0.000 0.520 584 G N 1.280 109.976 108.800 -0.173 0.000 2.475 584 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 584 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 584 G C 1.447 176.019 174.900 -0.546 0.000 1.125 584 G CA 0.982 45.697 45.100 -0.641 0.000 0.755 584 G HN 0.557 nan 8.290 nan 0.000 0.565 585 N N 0.390 118.979 118.700 -0.185 0.000 2.270 585 N HA 0.009 4.749 4.740 0.000 0.000 0.181 585 N C 1.004 176.532 175.510 0.029 0.000 1.016 585 N CA 0.165 53.231 53.050 0.027 0.000 0.870 585 N CB -0.073 38.479 38.487 0.108 0.000 0.979 585 N HN 0.306 nan 8.380 nan 0.000 0.431 586 I N 3.223 123.812 120.570 0.031 0.000 2.581 586 I HA 0.001 4.171 4.170 0.000 0.000 0.285 586 I C -1.321 174.888 176.117 0.154 0.000 1.129 586 I CA -0.791 60.559 61.300 0.083 0.000 1.397 586 I CB 0.981 38.996 38.000 0.026 0.000 1.399 586 I HN -0.015 nan 8.210 nan 0.000 0.537 587 P HA 0.059 nan 4.420 nan 0.000 0.267 587 P C 0.265 177.646 177.300 0.136 0.000 1.289 587 P CA 0.204 63.371 63.100 0.111 0.000 0.866 587 P CB 0.222 31.951 31.700 0.049 0.000 1.309 588 T N -2.358 112.309 114.554 0.188 0.000 2.897 588 T HA 0.688 5.038 4.350 0.000 0.000 0.278 588 T C 0.162 174.971 174.700 0.182 0.000 0.981 588 T CA -0.884 61.312 62.100 0.159 0.000 0.973 588 T CB 1.183 70.127 68.868 0.127 0.000 1.092 588 T HN 0.052 nan 8.240 nan 0.000 0.543 589 A N 1.787 124.656 122.820 0.082 0.000 2.310 589 A HA 0.591 4.911 4.320 0.000 0.000 0.300 589 A C -0.588 176.954 177.584 -0.069 0.000 1.269 589 A CA -0.845 51.193 52.037 0.002 0.000 0.909 589 A CB -0.984 18.045 19.000 0.048 0.000 1.144 589 A HN 0.874 nan 8.150 nan 0.000 0.540 590 Y N -0.148 120.068 120.300 -0.139 0.000 2.462 590 Y HA 0.710 5.260 4.550 0.000 0.000 0.346 590 Y C 0.753 176.547 175.900 -0.176 0.000 0.976 590 Y CA -0.650 57.187 58.100 -0.438 0.000 1.044 590 Y CB 1.482 39.492 38.460 -0.749 0.000 1.230 590 Y HN 0.381 nan 8.280 nan 0.000 0.455 591 G N 0.939 109.693 108.800 -0.077 0.000 2.608 591 G HA2 0.358 4.318 3.960 0.000 0.000 0.210 591 G HA3 0.358 4.318 3.960 0.000 0.000 0.210 591 G C 0.463 175.480 174.900 0.195 0.000 1.139 591 G CA 0.190 45.436 45.100 0.243 0.000 0.812 591 G HN 0.949 nan 8.290 nan 0.000 0.529 592 A N 0.644 123.401 122.820 -0.105 0.000 2.346 592 A HA 0.477 4.798 4.320 0.000 0.000 0.252 592 A C -0.115 177.383 177.584 -0.144 0.000 1.089 592 A CA -0.494 51.360 52.037 -0.305 0.000 0.797 592 A CB 0.054 18.895 19.000 -0.265 0.000 1.047 592 A HN 0.372 nan 8.150 nan 0.000 0.494 593 N N 1.914 120.382 118.700 -0.387 0.000 2.468 593 N HA 0.254 4.994 4.740 0.000 0.000 0.265 593 N C -2.036 173.337 175.510 -0.228 0.000 1.199 593 N CA -0.849 51.939 53.050 -0.436 0.000 0.928 593 N CB 0.606 38.903 38.487 -0.317 0.000 1.059 593 N HN 0.416 nan 8.380 nan 0.000 0.467 594 P HA 0.003 nan 4.420 nan 0.000 0.245 594 P C 0.454 177.616 177.300 -0.230 0.000 1.206 594 P CA 0.592 63.528 63.100 -0.272 0.000 0.781 594 P CB 0.331 31.822 31.700 -0.348 0.000 0.994 595 T N 0.838 115.335 114.554 -0.095 0.000 2.788 595 T HA -0.130 4.220 4.350 0.000 0.000 0.268 595 T C 1.734 176.503 174.700 0.116 0.000 1.044 595 T CA 0.922 63.041 62.100 0.031 0.000 1.139 595 T CB -0.770 68.156 68.868 0.097 0.000 0.867 595 T HN 0.024 nan 8.240 nan 0.000 0.454 596 L N 1.150 122.457 121.223 0.140 0.000 2.083 596 L HA -0.090 4.250 4.340 0.000 0.000 0.209 596 L C 2.506 179.440 176.870 0.107 0.000 1.083 596 L CA 1.737 56.708 54.840 0.218 0.000 0.752 596 L CB -1.074 41.104 42.059 0.198 0.000 0.899 596 L HN 0.184 nan 8.230 nan 0.000 0.433 597 T N -0.383 114.108 114.554 -0.104 0.000 2.708 597 T HA -0.155 4.195 4.350 0.000 0.000 0.266 597 T C 1.887 176.507 174.700 -0.132 0.000 1.037 597 T CA 1.329 63.288 62.100 -0.235 0.000 1.146 597 T CB -0.505 67.852 68.868 -0.852 0.000 0.865 597 T HN 0.515 nan 8.240 nan 0.000 0.435 598 A N 1.336 124.078 122.820 -0.130 0.000 1.930 598 A HA -0.001 4.319 4.320 0.000 0.000 0.217 598 A C 2.298 179.849 177.584 -0.056 0.000 1.175 598 A CA 1.651 53.648 52.037 -0.067 0.000 0.627 598 A CB -0.700 18.274 19.000 -0.043 0.000 0.815 598 A HN 0.535 nan 8.150 nan 0.000 0.443 599 M N -0.253 119.317 119.600 -0.050 0.000 2.117 599 M HA -0.140 4.341 4.480 0.000 0.000 0.262 599 M C 2.048 178.259 176.300 -0.147 0.000 1.065 599 M CA 2.119 57.362 55.300 -0.096 0.000 1.114 599 M CB -0.136 32.404 32.600 -0.100 0.000 1.361 599 M HN 0.352 nan 8.290 nan 0.000 0.408 600 S N 1.103 116.716 115.700 -0.145 0.000 2.368 600 S HA -0.091 4.379 4.470 0.000 0.000 0.225 600 S C 1.747 176.165 174.600 -0.304 0.000 1.030 600 S CA 1.338 59.390 58.200 -0.248 0.000 0.999 600 S CB -0.504 62.502 63.200 -0.323 0.000 0.844 600 S HN 0.518 nan 8.310 nan 0.000 0.459 601 L N 1.204 122.291 121.223 -0.226 0.000 2.083 601 L HA -0.109 4.231 4.340 0.000 0.000 0.209 601 L C 2.802 179.547 176.870 -0.210 0.000 1.083 601 L CA 1.073 55.782 54.840 -0.217 0.000 0.752 601 L CB -0.776 41.224 42.059 -0.099 0.000 0.899 601 L HN 0.311 nan 8.230 nan 0.000 0.433 602 A N 0.633 123.323 122.820 -0.216 0.000 1.908 602 A HA -0.208 4.112 4.320 0.000 0.000 0.218 602 A C 2.227 179.493 177.584 -0.531 0.000 1.181 602 A CA 1.726 53.522 52.037 -0.403 0.000 0.627 602 A CB -0.698 18.076 19.000 -0.376 0.000 0.818 602 A HN 0.348 nan 8.150 nan 0.000 0.445 603 I N -0.551 119.803 120.570 -0.360 0.000 2.163 603 I HA -0.293 3.877 4.170 0.000 0.000 0.243 603 I C 2.535 178.490 176.117 -0.269 0.000 1.085 603 I CA 1.978 63.103 61.300 -0.292 0.000 1.347 603 I CB -0.263 37.593 38.000 -0.241 0.000 1.044 603 I HN 0.376 nan 8.210 nan 0.000 0.408 604 K N 0.475 120.712 120.400 -0.272 0.000 2.063 604 K HA -0.243 4.077 4.320 0.000 0.000 0.208 604 K C 2.366 178.874 176.600 -0.153 0.000 1.048 604 K CA 1.922 58.076 56.287 -0.222 0.000 0.928 604 K CB -0.160 32.177 32.500 -0.271 0.000 0.713 604 K HN 0.161 nan 8.250 nan 0.000 0.442 605 S N -0.040 115.552 115.700 -0.179 0.000 2.356 605 S HA -0.171 4.299 4.470 0.000 0.000 0.223 605 S C 2.063 176.563 174.600 -0.168 0.000 1.032 605 S CA 1.501 59.635 58.200 -0.110 0.000 1.005 605 S CB -0.502 62.674 63.200 -0.039 0.000 0.867 605 S HN 0.582 nan 8.310 nan 0.000 0.449 606 C N 1.715 120.826 119.300 -0.316 0.000 2.411 606 C HA -0.023 4.437 4.460 0.000 0.000 0.279 606 C C 2.449 177.350 174.990 -0.147 0.000 1.288 606 C CA 0.773 59.624 59.018 -0.280 0.000 1.764 606 C CB -1.529 26.006 27.740 -0.342 0.000 1.974 606 C HN 0.682 nan 8.230 nan 0.000 0.498 607 E N -0.664 119.474 120.200 -0.104 0.000 2.150 607 E HA -0.231 4.119 4.350 0.000 0.000 0.193 607 E C 1.780 178.387 176.600 0.012 0.000 0.985 607 E CA 1.243 57.615 56.400 -0.046 0.000 0.814 607 E CB -0.264 29.405 29.700 -0.052 0.000 0.752 607 E HN 0.858 nan 8.360 nan 0.000 0.466 608 Y N 1.188 121.450 120.300 -0.063 0.000 2.220 608 Y HA -0.111 4.439 4.550 0.000 0.000 0.291 608 Y C 1.915 177.844 175.900 0.049 0.000 1.129 608 Y CA 1.142 59.249 58.100 0.012 0.000 1.161 608 Y CB -0.011 38.490 38.460 0.068 0.000 0.997 608 Y HN -0.094 nan 8.280 nan 0.000 0.522 609 I N 0.406 121.027 120.570 0.085 0.000 2.179 609 I HA -0.326 3.844 4.170 0.000 0.000 0.242 609 I C 2.297 178.469 176.117 0.091 0.000 1.088 609 I CA 1.609 62.951 61.300 0.071 0.000 1.357 609 I CB -0.412 37.407 38.000 -0.301 0.000 1.051 609 I HN 0.135 nan 8.210 nan 0.000 0.409 610 K N 0.435 120.841 120.400 0.010 0.000 2.152 610 K HA -0.221 4.100 4.320 0.000 0.000 0.206 610 K C 1.954 178.606 176.600 0.087 0.000 1.048 610 K CA 1.345 57.713 56.287 0.135 0.000 0.933 610 K CB -0.151 32.397 32.500 0.081 0.000 0.721 610 K HN 0.486 nan 8.250 nan 0.000 0.447 611 Q N -0.411 119.366 119.800 -0.038 0.000 2.425 611 Q HA 0.061 4.401 4.340 0.000 0.000 0.204 611 Q C 0.865 176.749 176.000 -0.192 0.000 0.933 611 Q CA 0.403 56.142 55.803 -0.107 0.000 0.939 611 Q CB 0.445 29.096 28.738 -0.145 0.000 1.044 611 Q HN 0.283 nan 8.270 nan 0.000 0.513 612 N N -0.925 117.634 118.700 -0.234 0.000 2.143 612 N HA 0.162 4.902 4.740 0.000 0.000 0.222 612 N C -0.978 174.146 175.510 -0.643 0.000 1.264 612 N CA 0.237 53.005 53.050 -0.471 0.000 0.897 612 N CB 1.059 39.089 38.487 -0.763 0.000 1.092 612 N HN -0.009 nan 8.380 nan 0.000 0.516 613 F N 0.335 120.316 119.950 0.053 0.000 2.578 613 F HA 0.353 4.880 4.527 0.000 0.000 0.311 613 F C 0.004 175.942 175.800 0.230 0.000 1.094 613 F CA -0.654 57.436 58.000 0.149 0.000 0.923 613 F CB 1.921 41.024 39.000 0.172 0.000 1.230 613 F HN -0.380 nan 8.300 nan 0.000 0.450 614 T N 3.597 118.332 114.554 0.301 0.000 2.771 614 T HA 0.446 4.796 4.350 0.000 0.000 0.281 614 T C -2.600 172.094 174.700 -0.011 0.000 0.982 614 T CA -1.465 60.686 62.100 0.086 0.000 0.978 614 T CB 1.285 70.172 68.868 0.032 0.000 0.930 614 T HN 0.122 nan 8.240 nan 0.000 0.447 615 P HA 0.151 nan 4.420 nan 0.000 0.269 615 P C 0.030 177.245 177.300 -0.141 0.000 1.209 615 P CA -0.456 62.377 63.100 -0.446 0.000 0.776 615 P CB 0.307 31.570 31.700 -0.729 0.000 0.876 616 S N 2.259 117.922 115.700 -0.061 0.000 2.593 616 S HA 0.352 4.822 4.470 0.000 0.000 0.269 616 S C -2.263 172.328 174.600 -0.014 0.000 1.334 616 S CA -1.020 57.168 58.200 -0.021 0.000 1.015 616 S CB -0.910 62.285 63.200 -0.008 0.000 0.912 616 S HN 0.277 nan 8.310 nan 0.000 0.541 617 P HA 0.182 nan 4.420 nan 0.000 0.271 617 P C -0.787 176.595 177.300 0.137 0.000 1.220 617 P CA -0.421 62.712 63.100 0.055 0.000 0.768 617 P CB 0.033 31.759 31.700 0.043 0.000 0.848 618 F N 4.231 124.164 119.950 -0.030 0.000 2.600 618 F HA 0.319 4.846 4.527 0.000 0.000 0.345 618 F C 0.308 176.099 175.800 -0.016 0.000 1.271 618 F CA -0.025 57.963 58.000 -0.019 0.000 1.138 618 F CB -0.992 37.999 39.000 -0.015 0.000 1.449 618 F HN 0.166 nan 8.300 nan 0.000 0.645 619 T N 0.000 114.783 114.554 0.382 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.217 62.100 0.195 0.000 1.349 619 T CB 0.000 68.912 68.868 0.074 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658